SCHEMBL11822656

SCHEMBL11822656

C#CCNC1=Nc2ccc(SC)cc2C(c2ccccc2)=NC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.47
GABRA1 P14867 8/20 0.36
GABRA5 P31644 8/20 0.36
GABRA2 P47869 8/20 0.36
GABRG2 P18507 7/20 0.36
GABRB3 P28472 7/20 0.36
GABRA3 P34903 6/20 0.36
GABRB2 P47870 4/20 0.36
GABRA6 Q16445 2/20 0.33
GABRA4 P48169 1/20 0.33
HPGD P15428 1/20 0.31
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
CCKBR P32239 1/20 0.30
IDO1 P14902 1/20 0.30

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
SCHEMBL11831860 0.87 GABRA1 (0.39) CHRM1GABRA1GABRA5GABRA2GABRG2
SCHEMBL11832437 0.86 GABRA3 (0.39) CHRM1GABRA1GABRA5GABRA2GABRG2
SCHEMBL11833332 0.84 GABRA1 (0.38) CHRM1GABRA1GABRA5GABRA2GABRG2
SCHEMBL11823482 0.84 GABRA1 (0.45) CHRM1GABRA1GABRA5GABRA2GABRG2
SCHEMBL11832829 0.84 OPRK1 (0.45) CHRM1GABRA1GABRA5GABRA2GABRG2
SCHEMBL11834514 0.84 CHRM1 (0.45) CHRM1GABRA1GABRA5GABRA2GABRG2
SCHEMBL11828357 0.84 SLC6A4 (0.32) CHRM1
SCHEMBL11827831 0.82 GABRA1 (0.48) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL11829527 0.81 CHRM1 (0.47) CHRM1GABRA1GABRA5GABRA2GABRG2
SCHEMBL11826276 0.80 LMNA (0.50) CHRM1GABRA1GABRA5GABRA2GABRG2

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-3933794-A CENTRAL NERVOUS SYSTEM DEPRESSANTS THE UPJOHN COMPANY (US) 1976-01-20 US disclosed