SCHEMBL10758161

SCHEMBL10758161

Cc1ccc2nc(-c3ccc(Cl)cc3)c(CNC(=O)C(C)C)n2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB2 P47870 3/20 0.52
ALB P02768 2/20 0.52
OPRK1 P41145 2/20 0.52
KCNH2 Q12809 2/20 0.52
GABRA1 P14867 2/20 0.52
GABRA2 P47869 2/20 0.52
KDM4E B2RXH2 1/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
CHRM1 P11229 1/20 0.52
HPGD P15428 1/20 0.52
GABRB1 P18505 1/20 0.52
GABRG2 P18507 1/20 0.52
GABRB3 P28472 1/20 0.52
GABRA3 P34903 1/20 0.52
ADRA1A P35348 1/20 0.52
HTR2B P41595 1/20 0.52
HSD17B10 Q99714 1/20 0.52
NR1H4 Q96RI1 1/20 0.51
SLC2A1 P11166 2/20 0.50

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
SCHEMBL10754545 0.89 ALB (0.51) GABRB2ALBOPRK1KCNH2GABRA1
SCHEMBL10758271 0.83 NR1H4 (0.57) GABRB2ALBOPRK1KCNH2GABRA1
SCHEMBL10758241 0.82 ALB (0.53) GABRB2ALBOPRK1KCNH2GABRA1
SCHEMBL4261039 0.80 GABRA1 (0.57) GABRB2ALBOPRK1KCNH2GABRA1
SCHEMBL14889249 0.79 GABRB2 (0.65) GABRB2ALBOPRK1KCNH2GABRA1
SCHEMBL4255619 0.79 GABRA1 (0.56) GABRB2ALBOPRK1KCNH2GABRA1
SCHEMBL1691376 0.79 ALDH1A1 (0.58) GABRB2ALBOPRK1KCNH2GABRA1
SCHEMBL4262267 0.78 KDM4E (0.60) GABRB2ALBOPRK1KCNH2GABRA1
SCHEMBL4261710 0.77 GABRA1 (0.59) GABRB2ALBOPRK1KCNH2GABRA1
SCHEMBL4264310 0.76 GABRA1 (0.61) GABRB2ALBOPRK1KCNH2GABRA1

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-4650796-A ANXIOLYTIC, HYPNOTIC, ANTICONVULSANT, ANALGESIC, ANTIULCER SYNTHELABO (FR) 1987-03-17 US disclosed