SCHEMBL9530434

SCHEMBL9530434

CN1C(=O)C(N)(C=C2C(=O)OC(C)(C)OC2=O)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
CCKBR P32239 10/20 0.43
CCKAR P32238 1/20 0.39
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL8824645 0.78 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8824650 0.78 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8824647 0.78 GABRA1 (0.53) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9530419 0.70 CCKBR (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9530429 0.70 CCKBR (0.56) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9866204 0.68 CCKBR (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4414767 0.68 CCKBR (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL30934892 0.68 CCKBR (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
Hydrochloric Acid SCHEMBL8639199 0.68 CCKBR (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL17969884 0.67 CCKBR (0.51) GABRA1GABRG2GABRB3GABRA5GABRA3

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
EP-0385735-B1 Benzodiazepine analogs BIOMEASURE INC (US) 1993-11-18 EP claimed