SCHEMBL7261

SCHEMBL7261

NC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 2/20 0.68
GABRB2 P47870 2/20 0.68
TSPO P30536 3/20 0.65
NR1I2 O75469 1/20 0.65
ABCB11 O95342 1/20 0.65
ALB P02768 1/20 0.65
ADORA3 P0DMS8 1/20 0.65
ADORA1 P30542 1/20 0.65
OPRM1 P35372 1/20 0.65
DRD3 P35462 1/20 0.65
OPRK1 P41145 1/20 0.65
PDE4D Q08499 1/20 0.65
KCNH2 Q12809 1/20 0.65
ALDH1A1 P00352 1/20 0.60
SLC2A1 P11166 3/20 0.56
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
SLC2A2 P11168 1/20 0.56

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
SCHEMBL3035121 0.89 TSPO (0.71) GABRA2GABRB2TSPONR1I2ABCB11
SCHEMBL8150 0.88 GABRA2 (0.70) GABRA2GABRB2TSPONR1I2ABCB11
SCHEMBL14302332 0.85 TSPO (0.53) GABRA2GABRB2TSPONR1I2ABCB11
SCHEMBL11069376 0.83 TSPO (0.75) GABRA2GABRB2TSPONR1I2ABCB11
SCHEMBL3028009 0.82 TSPO (0.69) GABRA2GABRB2TSPONR1I2ABCB11
SCHEMBL1691241 0.81 ALDH1A1 (0.68) GABRA2GABRB2TSPONR1I2ABCB11
SCHEMBL23624072 0.81 SLC2A2 (0.82) GABRA2GABRB2TSPONR1I2ABCB11
SCHEMBL14797241 0.81 GABRA1 (0.73) GABRA2GABRB2TSPONR1I2ABCB11
Acetamide SCHEMBL3026879 0.81 PSMD14 (0.58) GABRA2GABRB2TSPONR1I2ABCB11
SCHEMBL10999904 0.80 GABRA2 (0.60) GABRA2GABRB2TSPONR1I2ABCB11

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-4460592-A HYPNOTIC SYNTHELABO 1984-07-17 US disclosed
US-4382938-A HYPNOSIS; TENSION; ANTICONVULSANTS; PSYCHOLOGICAL AND NERVOUS SYSTEM DISORDERS SYNTHELABO (FR) 1983-05-10 US disclosed