SCHEMBL9019682

SCHEMBL9019682

O=C(O)CC1CCCc2c(n(Cc3ccc(-n4ccnc4)cc3)c3c(F)cc(F)cc23)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.52
PTGDR Q13258 7/20 0.52
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
HPGD P15428 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
KMT2A Q03164 1/20 0.49
HSD17B10 Q99714 1/20 0.49
PDE2A O00408 8/20 0.43
PTGER3 P43115 3/20 0.39
PTGER2 P43116 3/20 0.39
PTGIR P43119 3/20 0.39
PTGER1 P34995 2/20 0.39
PTGFR P43088 2/20 0.39
PTGER4 P35408 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL9019673 0.95 PTGDR (0.47) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019727 0.90 TBXA2R (0.43) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019683 0.88 TBXA2R (0.51) TBXA2RPTGDRPDE2AHRH3PTGDR2
SCHEMBL9019684 0.85 TBXA2R (0.72) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019729 0.85 TBXA2R (0.37) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019714 0.84 TBXA2R (0.70) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019676 0.83 TBXA2R (0.47) TBXA2RPTGDR2
SCHEMBL10412741 0.82 PTGDR (0.57) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL10413122 0.81 MEN1 (0.73) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019699 0.81 PTGDR (0.39) TBXA2RPTGDRMEN1ALDH1A1CYP3A4

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