SCHEMBL228259

SCHEMBL228259

O=C(c1ccc(F)cc1)C1CCNCC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.67
CYP2D6 P10635 1/20 0.67
KMT2A Q03164 1/20 0.67
HSD11B1 P28845 9/20 0.58
HTR2A P28223 1/20 0.51
HTR2C P28335 1/20 0.51
HTR7 P34969 1/20 0.51
HTR6 P50406 1/20 0.51
MGLL Q99685 1/20 0.51
KDM4E B2RXH2 1/20 0.51
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL224933 0.98 MEN1 (0.70) MEN1CYP2D6KMT2AHSD11B1HTR2A
Bromide SCHEMBL7253785 0.98 MEN1 (0.65) MEN1CYP2D6KMT2AHSD11B1HTR2A
SCHEMBL8110383 0.93 MEN1 (0.59) MEN1CYP2D6KMT2AHSD11B1HTR2A
Bromide SCHEMBL9092341 0.92 MEN1 (0.58) MEN1CYP2D6KMT2AHSD11B1HTR2A
Trifluoroacetic Acid SCHEMBL252584 0.91 MEN1 (0.56) MEN1CYP2D6KMT2AHSD11B1
SCHEMBL2146518 0.89 MEN1 (0.54) MEN1CYP2D6KMT2AHSD11B1HTR2A
Hydrochloric Acid SCHEMBL5478246 0.88 MEN1 (0.57) MEN1CYP2D6KMT2AHSD11B1HTR2A
Hydrochloric Acid SCHEMBL5478248 0.88 MEN1 (0.57) MEN1CYP2D6KMT2AHSD11B1HTR2A
SCHEMBL31164032 0.86 HSD11B1 (0.68) HSD11B1HTR2AHTR2CHTR7HTR6
SCHEMBL662115 0.86 HSD11B1 (0.68) HSD11B1HTR2AHTR2CHTR7HTR6

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 609 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118561742-A Rupestonic acid amide derivative containing nitrogen heterocycle, and preparation method and application thereof 中国科学院新疆理化技术研究所 2024-08-30 CN claimed
CN-108033694-A Novel silicate cement and preparation method thereof 天津山水水泥有限公司 2018-05-15 CN claimed
CN-106866625-A The preparation method of ketanserin 上海鼎雅药物化学科技有限公司 2017-06-20 CN claimed
CN-1793138-B Process for prepering aspetllinone BOSU MEDICINE SCI & TECH CO LTD SHANGHAI 2010-05-12 CN claimed
JP-2006516587-A 2006-07-06 JP claimed
CN-1793138-A Process for prepering aspetllinone BOSU MEDICINE SCI & TECH CO LT (CN) 2006-06-28 CN claimed
EP-1599204-A2 SELECTIVE MGLU5 ANTAGONISTS FOR TREATMENT OF NEUROMUSCULAR DYSFUNCTION OF THE LOWER URINARY TRACT Recordati Ireland Limited (IE) 2005-11-30 EP claimed
US-6841550-B1 Benzoxazine and benzothiazine derivatives and their use in medicines SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-11 US claimed
WO-2004067002-A2 SELECTIVE mGlu5 ANTAGONISTS FOR TREATMENT OF NEUROMUSCULAR DYSFUNCTION OF THE LOWER URINARY TRACT RECORDATI IRELAND LIMITED (IE) 2004-08-12 WO claimed
EP-1114037-B1 BENZOXAZINE AND BENZOTHIAZINE DERIVATIVES AND THEIR USE IN MEDICINES SCHERING AG (DE) 2004-05-12 EP claimed
US-5643927-A METHOD OF PREPARATION BY DEHYDROCHLORINATION BETWEEN 4-(P-FLUOROBENZOYLPIPERIDINE WITH CHLOROALKYLCHROMEN-4-ONE FERRER INTERNACIONAL, S.A. (ES) 1997-07-01 US claimed
WO-1997010238-A1 QUINOLEIN-2(1H)-ONE DERIVATIVES AS SEROTONIN ANTAGONISTS SYNTHELABO (FR) 1997-03-20 WO claimed
JP-H08510478-A 1996-11-05 JP claimed
EP-0699197-A1 4-P-FLUOROBENZOYL-1-PIPERIDINYL-PROPOXY-CHROMEN-4-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA FERRER INTERNACIONAL, S.A. (ES) 1996-03-06 EP claimed
WO-1995025733-A1 4-P-FLUOROBENZOYL-1-PIPERIDINYL-PROPOXY-CHROMEN-4-ONE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF PSYCHOSIS AND SCHIZOPHRENIA FERRER INTERNACIONAL, S.A. (ES) 1995-09-28 WO claimed
EP-0433149-B1 Serotonin antagonists, their preparation and pharmaceuticals containing them RHONE POULENC SANTE (FR) 1994-02-16 EP claimed
EP-0070053-B1 NOVEL BICYCLIC PYRIMIDIN-5-ONE DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1986-04-16 EP claimed
EP-0098499-A1 Process for preparing ketanserine RAVIZZA S.p.A. (IT) 1984-01-18 EP claimed
EP-0070053-A2 Novel bicyclic pyrimidin-5-one derivatives JANSSEN PHARMACEUTICA N.V. (BE) 1983-01-19 EP claimed
EP-0046179-A1 3-(3-(4-(4-Fluorobenzoyl)piperidyl)propyl)-2-methyl indole and pharmaceutical composition containing it HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1982-02-24 EP claimed