SCHEMBL8797971

SCHEMBL8797971

Cc1ccc2c(c1)C(C#N)c1cc(Br)ccc1CO2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PIK3CD O00329 1/20 0.33
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
TBXA2R P21731 1/20 0.33
HTR2C P28335 3/20 0.33
HTR2B P41595 2/20 0.33
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
HTR2A P28223 2/20 0.32
HCRTR2 O43614 1/20 0.32
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
TSHR P16473 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
SCHEMBL8799491 0.92 TBXA2R (0.36) MAPTTDP1TBXA2RHTR2CHTR2B
SCHEMBL7522168 0.84 MAPT (0.38) MAPTTBXA2RHTR2CHTR2BHTR1A
SCHEMBL7520603 0.84 DRD2 (0.39) TBXA2RHTR2CSLC6A2HTR2ADRD2
SCHEMBL8798181 0.83 TBXA2R (0.36) TBXA2RHTR2CHTR2BSLC6A2HTR2A
SCHEMBL8797896 0.79 DRD2 (0.33) TDP1TBXA2RHTR2CHTR2BHTR2A
SCHEMBL8797257 0.76 KDM4E (0.41) KDM4EMAPTMAPK1TDP1L3MBTL1
SCHEMBL8798327 0.71 DRD2 (0.33) TDP1HTR2CHTR2ADRD2DRD3
SCHEMBL9196224 0.69 TDP1 (0.41) TDP1L3MBTL1HTR2CHTR2BSLC6A2
SCHEMBL8797797 0.69 IMPDH2 (0.36) MAPTTBXA2RHTR2CSLC6A2HTR2A
SCHEMBL11278667 0.68 MAOB (0.42) MAPTHTR2CHTR2BHTR1ASLC6A2

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