SCHEMBL9019712

SCHEMBL9019712

O=C(O)CC1CCCc2c(n(Cc3cccc(Cn4ccnc4)c3)c3ccc(F)cc23)C1

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 11/20 0.53
TBXAS1 P24557 10/20 0.53
CYP11B1 P15538 2/20 0.43
CYP11B2 P19099 2/20 0.43
PTGDR2 Q9Y5Y4 1/20 0.40
CYP19A1 P11511 1/20 0.39
FABP3 P05413 1/20 0.39

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
SCHEMBL9019713 0.94 TBXA2R (0.53) TBXA2RTBXAS1CYP11B1CYP11B2PTGDR2
SCHEMBL9019686 0.89 TBXA2R (0.48) TBXA2RTBXAS1CYP11B1CYP11B2PTGDR2
SCHEMBL9019726 0.89 TBXA2R (0.52) TBXA2RTBXAS1PTGDR2FABP3
SCHEMBL9019683 0.85 TBXA2R (0.51) TBXA2RTBXAS1PTGDR2
SCHEMBL10412691 0.80 TBXA2R (0.70) TBXA2RTBXAS1PTGDR2
SCHEMBL9019676 0.80 TBXA2R (0.47) TBXA2RTBXAS1PTGDR2
SCHEMBL9019688 0.79 TBXA2R (0.74) TBXA2RTBXAS1
SCHEMBL9019678 0.75 TBXA2R (0.42) TBXA2RTBXAS1PTGDR2
SCHEMBL9019689 0.75 TBXA2R (0.71) TBXA2RTBXAS1
SCHEMBL9019682 0.73 TBXA2R (0.52) TBXA2RPTGDR2

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 1 patent. 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