SCHEMBL5666201

SCHEMBL5666201

Cc1nnc2n1-c1sc3c(c1C(c1ccccc1)=NC2)CCNC3

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 3/20 0.43
GABRA5 P31644 3/20 0.43
GABRA2 P47869 3/20 0.43
GABRB2 P47870 3/20 0.43
BRD4 O60885 2/20 0.43
OPRK1 P41145 2/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
CNR1 P21554 1/20 0.43
GABRA3 P34903 1/20 0.43
PTAFR P25105 12/20 0.42
PDE4D Q08499 1/20 0.40
PGR P06401 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
ADORA3 P0DMS8 1/20 0.37
AR P10275 1/20 0.37
PDE4A P27815 1/20 0.37
ADRA1A P35348 1/20 0.37

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
SCHEMBL5663419 0.90 BRD4 (0.47) GABRA1GABRA5GABRA2GABRB2BRD4
SCHEMBL5663631 0.89 OPRK1 (0.43) GABRA1GABRA5GABRA2GABRB2BRD4
SCHEMBL5664181 0.86 PTAFR (0.57) GABRA1GABRA5GABRA2OPRK1GABRA3
SCHEMBL5662712 0.84 PGR (0.35) OPRK1HPGDPGRHTR1AADRA2A
SCHEMBL12228314 0.83 PGR (0.45) GABRA1GABRA5GABRA2GABRB2BRD4
SCHEMBL5664142 0.81 PTAFR (0.46) GABRA1GABRA5GABRA2OPRK1GABRA3
SCHEMBL5663645 0.79 HTR7 (0.39) GABRA1GABRA5GABRA2GABRB2BRD4
SCHEMBL5663705 0.78 CDK2 (0.40) GABRA1GABRA5GABRA2GABRB2BRD4
SCHEMBL9864306 0.77 BRD4 (0.44) BRD4OPRK1PTAFRPDE4DPGR
SCHEMBL9864263 0.77 PTAFR (0.47) BRD4OPRK1PTAFRPDE4DPGR

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