SCHEMBL21362674

SCHEMBL21362674

COCc1cc(-c2nnc3c4ccccc4c(OCc4ccc(C(=O)N5CCCCCC5)cn4)nn23)no1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GABRA5 P31644 15/20 0.53
GABRA1 P14867 13/20 0.53
GABRG2 P18507 13/20 0.53
GABRB3 P28472 13/20 0.53
GABRA3 P34903 13/20 0.53
GABRA2 P47869 13/20 0.53
GABRA4 P48169 1/20 0.53
GABRA6 Q16445 1/20 0.53
CACNA2D1 P54289 1/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL30096944 1.00 GABRA5 (0.53) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362656 1.00 GABRA5 (0.53) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362608 0.99 GABRA5 (0.54) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362672 0.94 GABRA5 (0.51) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362480 0.93 GABRA5 (0.53) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362589 0.92 GABRA5 (0.51) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362461 0.91 GABRA1 (0.51) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362468 0.91 GABRA5 (0.51) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL21362588 0.91 GABRA5 (0.52) GABRA5GABRA1GABRG2GABRB3GABRA3
SCHEMBL18973322 0.91 GABRA5 (0.53) GABRA5GABRA1GABRG2GABRB3GABRA3

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
WO-2019174577-A1 PHTHALAZINE ISOXAZOLE ALKOXY DERIVATIVES, PREPARATION METHOD THEREOF, PHARMACEUTICAL COMPOSITION AND USE THEREOF 上海赛默罗生物科技有限公司 2019-09-19 WO disclosed