SCHEMBL14217644

SCHEMBL14217644

C#Cc1cc2c(s1)C(c1ccccc1)=NCC(=O)N2C

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.60
GABRA5 P31644 9/20 0.60
GABRA2 P47869 9/20 0.60
GABRA3 P34903 8/20 0.60
GABRG2 P18507 7/20 0.60
GABRB3 P28472 7/20 0.60
GABRB2 P47870 7/20 0.60
CCKBR P32239 1/20 0.54
GABRP O00591 2/20 0.51
GABRD O14764 2/20 0.51
GABRB1 P18505 2/20 0.51
GABRA4 P48169 2/20 0.51
GABRE P78334 2/20 0.51
GABRA6 Q16445 2/20 0.51
GABRG1 Q8N1C3 2/20 0.51
GABRG3 Q99928 2/20 0.51
GABRQ Q9UN88 2/20 0.51
CACNA1F O60840 1/20 0.51
ALB P02768 1/20 0.51
OPRK1 P41145 1/20 0.51

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
SCHEMBL13524249 0.78 GABRA1 (0.40) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL29588960 0.75 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL2871536 0.75 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL7724649 0.74 GABRA1 (0.36) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL14217768 0.71 GABRG2 (0.45) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL13009565 0.71 CCKBR (0.38) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL877728 0.71 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL30175096 0.71 GABRA1 (1.00) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL8363061 0.69 GABRG2 (0.47) GABRA1GABRA5GABRA2GABRA3GABRG2
SCHEMBL14217646 0.69 GABRA1 (0.34) GABRA1GABRA5GABRA2GABRA3GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE47475-E1 Selective agents for pain suppression WISYS TECHNOLOGY FOUNDATION, INC. (US) 2019-07-02 US disclosed
US-8835424-B2 Selective agents for pain suppression WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2014-09-16 US disclosed
EP-1925614-A1 Anxiolytic agents with reduced sedative and ataxic effects Wisys Technology Foundation, Inc. (US) 2008-05-28 EP disclosed