SCHEMBL9019726

SCHEMBL9019726

O=C(O)CC1CCCc2c(n(Cc3cccc(-n4ccnc4)c3)c3ccc(F)cc23)C1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 11/20 0.52
TBXAS1 P24557 8/20 0.50
HCRTR1 O43613 1/20 0.43
HCRTR2 O43614 1/20 0.43
CCR3 P51677 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.39
FABP3 P05413 1/20 0.38
FABP4 P15090 1/20 0.37

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
SCHEMBL9019683 0.91 TBXA2R (0.51) TBXA2RTBXAS1PTGDR2
SCHEMBL9019712 0.89 TBXA2R (0.53) TBXA2RTBXAS1PTGDR2FABP3
SCHEMBL9019676 0.86 TBXA2R (0.47) TBXA2RTBXAS1PTGDR2
SCHEMBL9019689 0.86 TBXA2R (0.71) TBXA2RTBXAS1
SCHEMBL9019713 0.85 TBXA2R (0.53) TBXA2RTBXAS1PTGDR2
SCHEMBL9019678 0.81 TBXA2R (0.42) TBXA2RTBXAS1PTGDR2
SCHEMBL9019686 0.80 TBXA2R (0.48) TBXA2RTBXAS1PTGDR2
SCHEMBL9019682 0.80 TBXA2R (0.52) TBXA2RPTGDR2
SCHEMBL10412691 0.79 TBXA2R (0.70) TBXA2RTBXAS1PTGDR2
SCHEMBL9019680 0.77 TBXA2R (0.72) 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 5 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-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
EP-0496237-A2 N-imidazolyl derivatives of substituted tetrahydrocarbazole and cyclohept[b]indole PHARMACIA S.p.A. (IT) 1992-07-29 EP disclosed