SCHEMBL7138558

SCHEMBL7138558

O=Cc1cc(C(F)(F)F)ccc1Oc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.57
GAA P10253 1/20 0.57
KMT2A Q03164 1/20 0.57
TTR P02766 1/20 0.44
ALDH1A1 P00352 2/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
POLB P06746 1/20 0.44
SCN8A Q9UQD0 2/20 0.44
SCN10A Q9Y5Y9 2/20 0.44
NPSR1 Q6W5P4 3/20 0.43
MAPT P10636 2/20 0.43
RAB9A P51151 1/20 0.43
FFAR1 O14842 2/20 0.41
ATM Q13315 2/20 0.40
MAPK14 Q16539 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NR3C1 P04150 1/20 0.40

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
SCHEMBL4613870 0.88 LMNA (0.57) LMNAGAAKMT2ATTRALDH1A1
SCHEMBL18570579 0.86 L3MBTL1 (0.46) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL22809589 0.85 SLC6A4 (0.56) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL18570517 0.85 L3MBTL1 (0.62) LMNAALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19563652 0.85 HTR2A (0.51) LMNAKMT2ATTRALDH1A1CYP1A2
SCHEMBL19563647 0.85 SCN8A (0.46) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL3484746 0.83 L3MBTL1 (0.39) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL19563654 0.82 SCN8A (0.47) LMNAGAAKMT2AALDH1A1CYP1A2
SCHEMBL22809585 0.81 SCN8A (0.48) LMNAL3MBTL1SCN8ASCN10AMAPT
SCHEMBL19524164 0.81 MAPT (0.65) LMNACYP1A2CYP2C9CYP2C19L3MBTL1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3239134-B1 PYRIDONE AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2020-12-23 EP disclosed
EP-2951155-B1 AMIDES AS MODULATORS OF SODIUM CHANNELS VERTEX PHARMA (US) 2019-06-19 EP disclosed
US-6506775-B1 Treatment of a gastrointestinal disorder; a central nervous system (CNS) adverse conditions caused by Heliobacter pylori; or angiogenesis especially CNS disorders in a mammalian subject, especially humans. PFIZER INC 2003-01-14 US disclosed
US-6329396-B1 TREATMENT OF GASTROINTESTINAL DISORDERS CENTRAL NERVOUS SYSTEM (CNS) DISORDERS; INFLAMMATORY DISEASE; EMESIS; URINARY INCONTINENCE; PAIN; MIGRAINE; SUNBURN; DISEASES, DISORDERS AND ADVERSE CONDITIONS CAUSED BY HELIOBACTER PYLORI; OR PFIZER INC. 2001-12-11 US disclosed
EP-1114817-A1 Substituted benzylamino piperidine compounds PFIZER INC. (US) 2001-07-11 EP disclosed
EP-0861235-A1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER INC. (US) 1998-09-02 EP disclosed
WO-1997008144-A1 SUBSTITUTED BENZYLAMINOPIPERIDINE COMPOUNDS PFIZER PHARMACEUTICALS INC. (JP) 1997-03-06 WO disclosed