SCHEMBL5101484

SCHEMBL5101484

[CH2]Cc1cn(C(=O)c2ccccc2Br)c2ccc(OC)cc12

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.53
AKR1C3 P42330 14/20 0.48
AKR1C2 P52895 7/20 0.48
AKR1C4 P17516 1/20 0.48
PTGS1 P23219 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HPGD P15428 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
MTNR1A P48039 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
SCHEMBL5768425 0.85 HTR6 (0.74) HTR6MTNR1A
SCHEMBL6944998 0.78 AKR1C3 (0.55) HTR6AKR1C3AKR1C2AKR1C4PTGS1
SCHEMBL6821035 0.77 HTR6 (0.52) HTR6MTNR1A
SCHEMBL5092828 0.76 HTR6 (0.42) HTR6ALDH1A1
SCHEMBL5092915 0.73 ALDH1A1 (0.41) HTR6ALDH1A1HPGDNPSR1
SCHEMBL5654827 0.72 HTR6 (0.54) HTR6AKR1C3AKR1C2AKR1C4PTGS1
SCHEMBL18133072 0.72 AKR1C3 (0.81) HTR6AKR1C3AKR1C2AKR1C4PTGS1
SCHEMBL5767433 0.71 HTR6 (0.58) HTR6MTNR1A
SCHEMBL3029516 0.70 HTR6 (0.76) HTR6AKR1C3AKR1C2AKR1C4PTGS1
SCHEMBL5094696 0.70 HTR6 (0.48) HTR6ALDH1A1HPGDNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7317035-B2 Tetracyclic arylcarbonyl indoles having serotonin receptor affinity useful as therapeutic agents, process for their preparation and pharmaceutical compositions containing them SUVEN LIFE SCIENCES LIMITED (IN) 2008-01-08 US disclosed