SCHEMBL9019684

SCHEMBL9019684

O=C(O)CC1CCCc2c1n(Cc1ccc(-n3ccnc3)cc1)c1c(F)cc(F)cc21

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 10/20 0.72
PTGDR Q13258 9/20 0.72
MEN1 O00255 1/20 0.67
ALDH1A1 P00352 1/20 0.67
CYP3A4 P08684 1/20 0.67
MAPT P10636 1/20 0.67
CYP2C9 P11712 1/20 0.67
HPGD P15428 1/20 0.67
MAPK1 P28482 1/20 0.67
CYP2C19 P33261 1/20 0.67
KMT2A Q03164 1/20 0.67
HSD17B10 Q99714 1/20 0.67
PDE2A O00408 8/20 0.61
PTGER3 P43115 3/20 0.53
PTGER2 P43116 3/20 0.53
PTGIR P43119 3/20 0.53
PTGER1 P34995 2/20 0.53
PTGFR P43088 2/20 0.53
PTGER4 P35408 1/20 0.53
PDE4A P27815 1/20 0.51

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
SCHEMBL9019714 0.98 TBXA2R (0.70) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019710 0.89 TBXA2R (0.57) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019680 0.88 TBXA2R (0.72) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL6901464 0.86 TBXA2R (0.89) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019715 0.86 TBXA2R (0.56) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019718 0.86 TBXA2R (0.69) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019682 0.85 TBXA2R (0.52) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9518470 0.84 TBXA2R (1.00) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019687 0.83 TBXA2R (0.49) TBXA2RPTGDRMEN1ALDH1A1CYP3A4
SCHEMBL9019673 0.82 PTGDR (0.47) 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