SCHEMBL5665477

SCHEMBL5665477

Cc1nnc2n1-c1sc3c(c1C(c1ccccc1Cl)=NC2)CC=NC3

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 15/20 0.58
OPRK1 P41145 2/20 0.56
PDE4D Q08499 2/20 0.56
GABRA1 P14867 2/20 0.50
GABRA5 P31644 2/20 0.50
GABRA3 P34903 2/20 0.50
GABRA2 P47869 2/20 0.50
GABRG2 P18507 1/20 0.50
HTR2A P28223 1/20 0.50
GABRB3 P28472 1/20 0.50
ADRA1A P35348 1/20 0.50
TSHR P16473 1/20 0.48
GABRB2 P47870 1/20 0.48

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
SCHEMBL24997553 0.84 PTAFR (0.60) PTAFROPRK1PDE4DGABRA1GABRA5
SCHEMBL5664181 0.81 PTAFR (0.57) PTAFROPRK1PDE4DGABRA1GABRA5
SCHEMBL8928539 0.80 PTAFR (0.66) PTAFROPRK1PDE4DGABRA1GABRA5
SCHEMBL29603453 0.79 PTAFR (0.76) PTAFROPRK1PDE4D
SCHEMBL24442315 0.79 PTAFR (0.76) PTAFROPRK1PDE4D
SCHEMBL24442040 0.79 PTAFR (0.76) PTAFROPRK1PDE4D
SCHEMBL10435178 0.79 PTAFR (0.76) PTAFROPRK1PDE4D
SCHEMBL29602921 0.79 PTAFR (0.76) PTAFROPRK1PDE4D
SCHEMBL29603369 0.79 PTAFR (0.76) PTAFROPRK1PDE4D
SCHEMBL24442198 0.78 PTAFR (0.74) 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 1 patent. 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 disclosed