SCHEMBL9019679

SCHEMBL9019679

CCc1c(F)ccc2c1c1c(n2Cc2ccc(-n3ccnc3)cc2)CC(CC(=O)O)CCC1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 6/20 0.37
HRH3 Q9Y5N1 1/20 0.37
GNRHR P30968 1/20 0.36
TBXAS1 P24557 2/20 0.36
FFAR1 O14842 1/20 0.35
PTGDR Q13258 3/20 0.35
LSS P48449 1/20 0.35
MAOB P27338 1/20 0.34
MCHR1 Q99705 1/20 0.34

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
SCHEMBL9019729 0.89 TBXA2R (0.37) TBXA2RHRH3GNRHRTBXAS1FFAR1
SCHEMBL9019683 0.83 TBXA2R (0.51) TBXA2RHRH3TBXAS1PTGDR
SCHEMBL9019682 0.80 TBXA2R (0.52) TBXA2RHRH3PTGDR
SCHEMBL9019676 0.79 TBXA2R (0.47) TBXA2RTBXAS1FFAR1
SCHEMBL9019678 0.77 TBXA2R (0.42) TBXA2RHRH3TBXAS1
SCHEMBL9019726 0.75 TBXA2R (0.52) TBXA2RTBXAS1
SCHEMBL9019673 0.75 PTGDR (0.47) TBXA2RHRH3TBXAS1FFAR1PTGDR
SCHEMBL9019713 0.74 TBXA2R (0.53) TBXA2RTBXAS1PTGDR
SCHEMBL9019727 0.73 TBXA2R (0.43) TBXA2RHRH3GNRHRFFAR1PTGDR
SCHEMBL9019725 0.72 GNRHR (0.39) HRH3GNRHRLSSMAOBMCHR1

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-0496237-B1 N-imidazolyl derivatives of substituted tetrahydrocarbazole and cyclohept[b]indole PHARMACIA SPA (IT) 1996-02-14 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
EP-0496237-A2 N-imidazolyl derivatives of substituted tetrahydrocarbazole and cyclohept[b]indole PHARMACIA S.p.A. (IT) 1992-07-29 EP disclosed