SCHEMBL6612754

SCHEMBL6612754

CN(C)C[C@H]1CC1c1c[nH]c2ccc(C#N)cc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 20/20 1.00
SLC6A2 P23975 3/20 1.00
SLC6A3 Q01959 3/20 1.00

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
SCHEMBL6795965 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL6798675 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL6615017 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL6800017 1.00 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
Maleic Acid SCHEMBL6799675 0.91 SLC6A4 (0.82) SLC6A4SLC6A2SLC6A3
Fumaric Acid SCHEMBL6799677 0.91 SLC6A4 (0.82) SLC6A4SLC6A2SLC6A3
SCHEMBL16931788 0.90 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL16931787 0.90 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3
SCHEMBL6627509 0.88 SLC6A4 (0.79) SLC6A4SLC6A2SLC6A3
SCHEMBL6083836 0.87 SLC6A4 (1.00) SLC6A4SLC6A2SLC6A3

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 4 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
EP-1373203-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS Bristol-Myers Squibb Company (US) 2004-01-02 EP disclosed
WO-2002079152-A1 CYCLOPROPYLINDOLE DERIVATIVES AS SELECTIVE SEROTONIN REUPTAKE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-10-10 WO disclosed