SCHEMBL5664142

SCHEMBL5664142

Clc1ccccc1C1=NCc2nnc(-c3ccccc3)n2-c2sc3c(c21)CCNC3

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 15/20 0.46
OPRK1 P41145 2/20 0.42
PDE4D Q08499 2/20 0.42
GABRA1 P14867 1/20 0.39
GABRG2 P18507 1/20 0.39
HTR2A P28223 1/20 0.39
GABRB3 P28472 1/20 0.39
GABRA5 P31644 1/20 0.39
GABRA3 P34903 1/20 0.39
ADRA1A P35348 1/20 0.39
GABRA2 P47869 1/20 0.39
TDP1 Q9NUW8 1/20 0.38

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
SCHEMBL5664181 0.89 PTAFR (0.57) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL5664306 0.85 PTAFR (0.43) PTAFROPRK1PDE4D
SCHEMBL5665941 0.85 PTAFR (0.42) PTAFROPRK1PDE4DTDP1
SCHEMBL5663627 0.85 OPRK1 (0.48) PTAFROPRK1PDE4DGABRA1GABRG2
SCHEMBL5664536 0.84 OPRK1 (0.45) PTAFROPRK1PDE4D
SCHEMBL5664178 0.82 PTAFR (0.48) PTAFROPRK1PDE4D
SCHEMBL5664049 0.82 PTAFR (0.43) PTAFROPRK1PDE4D
SCHEMBL5666605 0.82 PTAFR (0.46) PTAFROPRK1PDE4D
SCHEMBL5664204 0.81 PTAFR (0.45) PTAFROPRK1PDE4D
SCHEMBL5666304 0.81 PTAFR (0.42) PTAFROPRK1PDE4D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015213-B1 Use of diazepines for preparing medicines for treating pathological conditions or diseases involving one of the growth hormone release inhibiting factor receptors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-03-21 US claimed
US-7015213-B1 Use of diazepines for preparing medicines for treating pathological conditions or diseases involving one of the growth hormone release inhibiting factor receptors SOCIETE DE CONSEILS DE RECHERCHES ET D'APPLICATIONS SCIENTIFIQUES (S.C.R.A.S.) (FR) 2006-03-21 US disclosed