SCHEMBL11833332

SCHEMBL11833332

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 7/20 0.38
GABRA5 P31644 7/20 0.38
GABRA2 P47869 7/20 0.38
GABRG2 P18507 6/20 0.38
GABRB3 P28472 6/20 0.38
GABRA3 P34903 6/20 0.38
GABRB2 P47870 5/20 0.38
CCNE2 O96020 1/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
HTT P42858 1/20 0.35
GABRA4 P48169 1/20 0.32
GABRA6 Q16445 1/20 0.32
POLB P06746 1/20 0.32
KDM4E B2RXH2 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM1 P11229 1/20 0.32
CCKBR P32239 1/20 0.32
IDO1 P14902 1/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL11830651 0.87 GABRA3 (0.42) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL11824108 0.86 GABRA1 (0.40) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL11832829 0.86 OPRK1 (0.45) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL11823482 0.86 GABRA1 (0.45) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL11829527 0.85 CHRM1 (0.47) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL11827831 0.84 GABRA1 (0.48) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL11822656 0.84 CHRM1 (0.47) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL11829616 0.83 GABRA1 (0.36) GABRA1GABRA5GABRA2GABRG2GABRB3
SCHEMBL11829663 0.82 MEN1 (0.35) POLB
SCHEMBL11610755 0.82 HTT (0.38) GABRA1GABRA5GABRA2GABRG2GABRB3

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