SCHEMBL631883

SCHEMBL631883

CCc1cccc(C(=O)NC(c2ccccc2)C23CCC(CC2)N3)c1Cl

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 16/20 0.64
GPR139 Q6DWJ6 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
BRD4 O60885 1/20 0.39
CREBBP Q92793 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
SCHEMBL2605261 0.88 SLC6A9 (0.74) SLC6A9TAS1R3TAS1R1TAS1R2
SCHEMBL2605383 0.88 SLC6A9 (0.64) SLC6A9GPR139TAS1R3TAS1R1TAS1R2
SCHEMBL631885 0.84 SLC6A9 (0.59) SLC6A9BRD4CREBBP
SCHEMBL2605382 0.84 SLC6A9 (0.62) SLC6A9
SCHEMBL2605184 0.78 SLC6A9 (1.00) SLC6A9
SCHEMBL2605303 0.78 SLC6A9 (1.00) SLC6A9
SCHEMBL2123535 0.77 SLC6A9 (0.73) SLC6A9CYP2C9
SCHEMBL2605270 0.76 SLC6A9 (0.64) SLC6A9
SCHEMBL2605256 0.75 SLC6A9 (0.67) SLC6A9CYP3A4CYP2D6CYP2C9
SCHEMBL4174502 0.74 SLC6A9 (0.76) SLC6A9

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-2419431-A1 DERIVATIVES OF N-[(7-AZA-BICYCLO[2.2.1]HEPT-1-YL)-ARYL-METHYL]-BENZAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-22 EP claimed
WO-2010119222-A1 DERIVATIVES OF N-[(7-AZA-BICYCLO[2.2.1]HEPT-1-YL)-ARYL-METHYL]-BENZAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-21 WO claimed
EP-2419431-A1 DERIVATIVES OF N-[(7-AZA-BICYCLO[2.2.1]HEPT-1-YL)-ARYL-METHYL]-BENZAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI (FR) 2012-02-22 EP disclosed
WO-2010119222-A1 DERIVATIVES OF N-[(7-AZA-BICYCLO[2.2.1]HEPT-1-YL)-ARYL-METHYL]-BENZAMIDE, PREPARATION THEREOF, AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2010-10-21 WO disclosed