SCHEMBL6616744

SCHEMBL6616744

N#Cc1ccc2c(c1)c(C1CC1)cn2CNCCc1c[nH]c2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.48
HTR1A P08908 3/20 0.47
ALOX5AP P20292 1/20 0.47
SLC6A4 P31645 4/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
ALOX15 P16050 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCHE P06276 1/20 0.44
MC5R P33032 1/20 0.43
MC3R P41968 1/20 0.43
MC1R Q01726 1/20 0.43
SLC6A3 Q01959 1/20 0.42
HTR2A P28223 1/20 0.42
HTR6 P50406 1/20 0.42
KCNH2 Q12809 1/20 0.42

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
SCHEMBL6614701 0.79 SLC6A4 (0.44) HTR1ASLC6A4
SCHEMBL6801384 0.72 SLC6A4 (0.56) CDK2HTR1ASLC6A4MEN1LMNA
SCHEMBL6801386 0.72 SLC6A4 (0.56) CDK2HTR1ASLC6A4MEN1LMNA
SCHEMBL5292952 0.70 MC5R (0.66) CDK2HTR1AMEN1LMNAMAPT
SCHEMBL8264766 0.69 CDK2 (0.61) CDK2HTR1AALOX5APMEN1LMNA
SCHEMBL6616745 0.69 CDK2 (0.49) CDK2ALOX5APSLC6A4MEN1LMNA
SCHEMBL9827979 0.68 HTR2A (0.64) CDK2SLC6A4KMT2AMC5RMC3R
SCHEMBL17232881 0.67 MC5R (0.83) HTR1AMEN1LMNAMAPTKMT2A
SCHEMBL10491369 0.66 HTR2A (0.70) HTR1AMEN1LMNAKMT2ABCHE
SCHEMBL6636440 0.66 SMO (0.54) HTR1ASLC6A4MEN1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1373203-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-02 EP claimed
WO-2002079152-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO claimed