SCHEMBL9705380

SCHEMBL9705380

CN1C(=O)N(Cc2ccc(Cl)cc2)N=C(c2ccccc2)c2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTH1R Q03431 1/20 0.50
CCKBR P32239 9/20 0.47
CCKAR P32238 2/20 0.47
GABRA1 P14867 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
GABRP O00591 2/20 0.44
GABRD O14764 2/20 0.44
GABRB1 P18505 2/20 0.44
GABRA4 P48169 2/20 0.44
GABRE P78334 2/20 0.44
GABRA6 Q16445 2/20 0.44
GABRG1 Q8N1C3 2/20 0.44
GABRG3 Q99928 2/20 0.44
GABRQ Q9UN88 2/20 0.44
OPRK1 P41145 2/20 0.44

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
SCHEMBL9703671 0.89 PTH1R (0.49) PTH1RCCKBRGABRA1GABRG2GABRB3
SCHEMBL9703395 0.89 PGR (0.53) PTH1RCCKBRCCKARGABRA1GABRG2
SCHEMBL8324826 0.78 PTH1R (0.46) PTH1RCCKBRCES2BCHECES1
SCHEMBL9703573 0.76 CCKBR (0.55) CCKBRCCKARGABRA1GABRG2GABRB3
SCHEMBL8316213 0.74 BRD4 (0.55) CCKBRGABRA1GABRA5GABRA3GABRA2
SCHEMBL8318456 0.71 BRD4 (0.55) CCKBRGABRA1GABRA5GABRA3GABRA2
SCHEMBL8315954 0.71 CCKBR (0.43) PTH1RCCKBRGABRA1GABRG2GABRB3
SCHEMBL8317832 0.71 BRD4 (0.55) CCKBRGABRA1GABRA5GABRA3GABRA2
SCHEMBL8319707 0.69 HDAC3 (0.49) CCKBR
SCHEMBL8317706 0.69 BRD4 (0.52) CCKBRGABRA1GABRA5GABRA3GABRA2

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-5091381-A Detection of peripheral benzodiazepine receptor activity in cell or tissue by labelled compounds using radioisotopes or cytoxic agents BIOMEASURE, INC. (US) 1992-02-25 US disclosed