SCHEMBL11679676

SCHEMBL11679676

Clc1ccc2c(c1)C(c1ccccc1)NCCN2

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PRCP P42785 2/20 0.45
ALOX12 P18054 1/20 0.45
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
DRD2 P14416 1/20 0.43
DRD1 P21728 1/20 0.43
GID4 Q8IVV7 2/20 0.42
TRPM5 Q9NZQ8 3/20 0.42
TRPM4 Q8TD43 2/20 0.42
GAA P10253 1/20 0.41
KIF11 P52732 1/20 0.41
KDM1A O60341 2/20 0.41
ATM Q13315 1/20 0.39

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
Hydrochloric Acid SCHEMBL11852646 0.98 PRCP (0.44) PRCPALOX12HTR2AHTR2CDRD2
SCHEMBL11852211 0.84 TRPM4 (0.47) PRCPALOX12HTR2AHTR2CGID4
SCHEMBL5598091 0.80 PRCP (0.55) PRCPDRD2DRD1GID4GAA
SCHEMBL11854994 0.78 PRCP (0.40) PRCPHTR2AHTR2CDRD2DRD1
SCHEMBL11681688 0.78 KIF11 (0.44) PRCPHTR2AHTR2CGAAKIF11
SCHEMBL11679672 0.76 USP7 (0.48) PRCPKDM1A
SCHEMBL1421019 0.75 ATM (0.53) TRPM5TRPM4GAAATM
SCHEMBL11547755 0.74 ALOX12 (0.43) ALOX12DRD2DRD1TRPM5TRPM4
SCHEMBL8222482 0.73 PRCP (0.67) PRCPALOX12HTR2AHTR2CDRD2
SCHEMBL11643617 0.73 PRCP (0.43) PRCPALOX12HTR2AHTR2CDRD2

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-4044003-A Process for preparing 1,4-benzodiazepines SUMITOMO CHEMICAL COMPANY, LIMITED (JA) 1977-08-23 US disclosed