SCHEMBL27488292

SCHEMBL27488292

NC(=O)c1ccc2c(c1)-c1ccccc1C2

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.62
HTR2C P28335 2/20 0.60
HTR2B P41595 2/20 0.60
DRD2 P14416 1/20 0.60
ADRA1D P25100 1/20 0.60
HTR2A P28223 1/20 0.60
HTR7 P34969 1/20 0.60
ADRA1A P35348 1/20 0.60
ADRA1B P35368 1/20 0.60
KDM4E B2RXH2 4/20 0.50
MAPT P10636 3/20 0.50
ALDH1A1 P00352 3/20 0.50
HPGD P15428 3/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PDK2 Q15119 2/20 0.49
CYP1A2 P05177 3/20 0.47
MAOA P21397 2/20 0.47

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
SCHEMBL1700638 0.93 SRD5A2 (0.72) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL29773950 0.93 SRD5A2 (0.72) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL14811372 0.89 SRD5A2 (0.57) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL26187120 0.88 MAOA (0.58) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL26187114 0.85 SRD5A2 (0.61) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL29709873 0.84 SRD5A2 (0.86) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL31069845 0.84 SRD5A2 (0.86) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL3105349 0.84 SRD5A2 (0.86) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL29773995 0.83 NPC1 (0.64) SRD5A2HTR2CHTR2BDRD2ADRA1D
SCHEMBL28171211 0.82 SRD5A2 (0.54) SRD5A2HTR2CHTR2BDRD2ADRA1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-106459068-B Novel compositions, uses and processes for their preparation 皮梅拉股份有限公司 2019-01-22 CN disclosed
CN-106995443-A New compositions, purposes and the method for preparing them 皮梅拉股份有限公司 2017-08-01 CN disclosed
CN-106459068-A Novel compositions, uses and processes for their preparation 皮梅拉股份有限公司 2017-02-22 CN disclosed
CN-103073524-B 4-[4-(substituted phenyl) piperazine piperazinyl-1]-butylcarbamic acid substituted aromatic ester derivative and preparation method thereof NINGBO INST OF MICROCIRCULATION & HENBANE 2015-06-10 CN disclosed
CN-103073524-A 4-[4-(substituted phenyl) piperazine piperazinyl-1]-butylcarbamic acid substituted aromatic ester derivative and preparation method thereof NINGBO INST OF MICROCIRCULATION & HENBANE 2013-05-01 CN disclosed
CN-101213190-A Compounds and compositions useful as TPO mimetics IRM LLC (BM) 2008-07-02 CN disclosed
CN-1161334-C Nitrogen-containing tetracyclic compounds ������ҩ��ʽ���� 2004-08-11 CN disclosed
CN-1280567-A Nitrogen-containing tetracyclic compounds TAISHO PHARMACEUTICAL CO LTD (JP) 2001-01-17 CN disclosed