SCHEMBL6613385

SCHEMBL6613385

CNC(c1c[nH]c2ccc(C#N)cc12)C1CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 0.51
SLC6A2 P23975 5/20 0.46
SLC6A3 Q01959 5/20 0.46
HTR1A P08908 1/20 0.46
DRD1 P21728 1/20 0.46
HTR1B P28222 1/20 0.46
HTR2A P28223 1/20 0.46
HTR6 P50406 1/20 0.46

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
SCHEMBL6690349 0.90 SLC6A4 (0.43) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6614308 0.80 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6616745 0.77 CDK2 (0.49) SLC6A4SLC6A3
SCHEMBL6614702 0.77 SLC6A4 (0.52) SLC6A4
SCHEMBL6651084 0.77 SLC6A4 (0.43) SLC6A4
SCHEMBL20078269 0.76 GUSB (0.50) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL6614577 0.75 SLC6A4 (0.51) SLC6A4SLC6A2SLC6A3
SCHEMBL6618506 0.75 SLC6A4 (0.47) SLC6A4SLC6A2SLC6A3HTR1ADRD1
SCHEMBL4351898 0.70 GUSB (0.51) SLC6A4SLC6A2SLC6A3
SCHEMBL16801518 0.70 MEN1 (0.48) SLC6A4

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