SCHEMBL9019729

SCHEMBL9019729

CCc1c(F)cc(F)c2c1c1c(n2Cc2ccc(-n3ccnc3)cc2)CC(CC(=O)O)CCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 4/20 0.37
PTGDR Q13258 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
GNRHR P30968 1/20 0.35
TBXAS1 P24557 2/20 0.35
FFAR1 O14842 1/20 0.34
ADH5 P11766 1/20 0.34
LSS P48449 1/20 0.34
PDE2A O00408 2/20 0.33
TPH1 P17752 1/20 0.33

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
SCHEMBL9019679 0.89 TBXA2R (0.37) TBXA2RPTGDRHRH3GNRHRTBXAS1
SCHEMBL9019682 0.85 TBXA2R (0.52) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019725 0.84 GNRHR (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19HRH3
SCHEMBL9019673 0.80 PTGDR (0.47) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019683 0.79 TBXA2R (0.51) TBXA2RPTGDRHRH3TBXAS1PDE2A
SCHEMBL9019727 0.78 TBXA2R (0.43) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019676 0.74 TBXA2R (0.47) TBXA2RTBXAS1FFAR1
SCHEMBL9019678 0.73 TBXA2R (0.42) TBXA2RMEN1ALDH1A1MAPTKMT2A
SCHEMBL9019684 0.72 TBXA2R (0.72) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019726 0.71 TBXA2R (0.52) TBXA2RTBXAS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0496237-A2 N-imidazolyl derivatives of substituted tetrahydrocarbazole and cyclohept[b]indole PHARMACIA S.p.A. (IT) 1992-07-29 EP claimed
EP-0496237-B1 N-imidazolyl derivatives of substituted tetrahydrocarbazole and cyclohept[b]indole PHARMACIA SPA (IT) 1996-02-14 EP disclosed
US-5238953-A Thromboxane a2 antagonist FARMITALIA CARLO ERBA S.R.L. (IT) 1993-08-24 US disclosed