SCHEMBL8799249

SCHEMBL8799249

Cc1cc2c(c(C)c1Br)C(C#N)c1ccccc1CO2

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HRH1 P35367 2/20 0.32
IMPDH2 P12268 1/20 0.32
IMPDH1 P20839 1/20 0.32

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
SCHEMBL8797964 0.81 HTR2A (0.34) MAPTHTR2AHTR2CHRH1
SCHEMBL8797797 0.79 IMPDH2 (0.36) ALDH1A1MAPTHTR2AHTR2CHRH1
SCHEMBL8797337 0.78 ALDH1A1 (0.42) ALDH1A1MAPT
SCHEMBL8797657 0.75 HTR2A (0.33) HTR2AHTR2CHRH1
SCHEMBL8797817 0.74 ALDH1A1 (0.31) ALDH1A1
SCHEMBL8620574 0.74 TBXA2R (0.40) ALDH1A1MAPTHTR2AHTR2CHRH1
SCHEMBL7522168 0.72 MAPT (0.38) ALDH1A1MAPTHTR2AHTR2CHRH1
SCHEMBL7520603 0.72 DRD2 (0.39) HTR2AHTR2CHRH1
SCHEMBL8798009 0.72 ALDH1A1 (0.31) ALDH1A1MAPTHTR2AHTR2CHRH1
SCHEMBL7526416 0.72 HTR2A (0.40) HTR2AHTR2CHRH1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497201-B1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO KK (JP) 1997-01-15 EP disclosed
US-5478835-A Acyl coenzyme A: acyltransferase inhibitors; treatment of hyperlipemia and arteriosclerosis KYOWA HAKKO KOGYO CO., LTD. (JP) 1995-12-26 US disclosed
US-5340807-A Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1994-08-23 US disclosed
EP-0497201-A1 Tricyclic compounds and intermediates thereof KYOWA HAKKO KOGYO CO., LTD. (JP) 1992-08-05 EP disclosed