SCHEMBL8374387

SCHEMBL8374387

C=CCC(CNC)C1c2ccccc2COc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.36
HRH1 P35367 4/20 0.36
HTR2C P28335 2/20 0.36
PRCP P42785 1/20 0.31
SLC6A2 P23975 11/20 0.31
CYP2D6 P10635 10/20 0.31
SLC6A4 P31645 10/20 0.31
SLC6A3 Q01959 5/20 0.31
ALDH1A1 P00352 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL8378076 0.84 HTR2A (0.36) HTR2AHRH1HTR2CPRCP
SCHEMBL8375617 0.82 HTR2A (0.38) HTR2AHRH1HTR2CSLC6A2CYP2D6
SCHEMBL11835473 0.79 HTR2A (0.40) HTR2AHRH1HTR2CSLC6A2CYP2D6
SCHEMBL8378073 0.77 HTR2A (0.36) HTR2AHRH1HTR2CPRCPHRH3
SCHEMBL8375640 0.75 TBXA2R (0.35) HTR2AHRH1HTR2CALDH1A1
SCHEMBL11834111 0.72 HTR2A (0.40) HTR2AHRH1HTR2CSLC6A2CYP2D6
SCHEMBL11614868 0.71 HTR2A (0.40) HTR2AHRH1HTR2CSLC6A2CYP2D6
SCHEMBL10188320 0.71 HTR2A (0.44) HTR2AHRH1HTR2CPRCP
SCHEMBL11834656 0.70 HRH1 (0.38) HTR2AHRH1HTR2CSLC6A2CYP2D6
SCHEMBL11845155 0.68 HTR2A (0.64) HTR2AHRH1HTR2CPRCP

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-0733049-B1 TRICYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING CORP (US) 1999-03-10 EP disclosed
US-5574173-A INHIBITORS OF TUMOR NECROSIS FACTOR SCHERING CORPORATION (US) 1996-11-12 US disclosed
EP-0733049-A1 TRICYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING CORPORATION (US) 1996-09-25 EP disclosed
WO-1995015959-A1 TRICYCLIC DERIVATIVES AND THEIR USE IN PHARMACEUTICALS SCHERING CORPORATION (US) 1995-06-15 WO disclosed