SCHEMBL14217646

SCHEMBL14217646

C#Cc1cc2c(s1)C(c1ccccc1)=NCC(NC)=N2

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA3 P34903 1/20 0.34
PTAFR P25105 1/20 0.33

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
SCHEMBL7311296 0.76 GABRA1 (0.34) GABRA1GABRA5GABRA2GABRB2GABRG2
SCHEMBL7725912 0.76 GABRA1 (0.53) GABRA1GABRA5GABRA2GABRB2GABRG2
SCHEMBL7312843 0.71 IDO1 (0.47) GABRA1GABRA5GABRA2GABRB2GABRG2
SCHEMBL14217644 0.69 GABRA1 (0.60) GABRA1GABRA5GABRA2GABRB2GABRG2
SCHEMBL5178956 0.68 OPRK1 (0.49) GABRA1GABRA5GABRA2GABRB2GABRG2
SCHEMBL2841206 0.68 GABRA1 (0.49) GABRA1GABRA5GABRA2GABRB2GABRG2
SCHEMBL7317220 0.68 OPRK1 (0.38) GABRA1GABRA5GABRA2GABRB2GABRG2
SCHEMBL11841565 0.66 BRD4 (0.38) GABRA1GABRA5GABRA2GABRB2GABRG2
SCHEMBL2843160 0.65 GABRA1 (0.54) GABRA1GABRA5GABRA2GABRB2GABRG2
SCHEMBL7724624 0.65 CYP1A2 (0.32)

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