SCHEMBL9019673

SCHEMBL9019673

O=C(O)CC1CCc2c(n(Cc3ccc(-n4ccnc4)cc3)c3c(F)cc(F)cc23)C1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 8/20 0.47
TBXA2R P21731 6/20 0.47
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
KMT2A Q03164 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PTGER3 P43115 3/20 0.42
PTGER2 P43116 3/20 0.42
PTGIR P43119 3/20 0.42
PTGER1 P34995 2/20 0.42
PTGFR P43088 2/20 0.42
PTGER4 P35408 1/20 0.42
PDE4A P27815 1/20 0.40
TSPO P30536 1/20 0.40

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
SCHEMBL9019682 0.95 TBXA2R (0.52) PTGDRTBXA2RMEN1ALDH1A1CYP3A4
SCHEMBL9019676 0.88 TBXA2R (0.47) TBXA2RPTGDR2FFAR1TBXAS1
SCHEMBL9019727 0.85 TBXA2R (0.43) PTGDRTBXA2RMEN1ALDH1A1CYP3A4
SCHEMBL9019699 0.84 PTGDR (0.39) PTGDRTBXA2RMEN1ALDH1A1CYP3A4
SCHEMBL9019683 0.83 TBXA2R (0.51) PTGDRTBXA2RPTGDR2PDE2ATBXAS1
SCHEMBL9019714 0.82 TBXA2R (0.70) PTGDRTBXA2RMEN1ALDH1A1CYP3A4
SCHEMBL9019684 0.82 TBXA2R (0.72) PTGDRTBXA2RMEN1ALDH1A1CYP3A4
SCHEMBL9019729 0.80 TBXA2R (0.37) PTGDRTBXA2RMEN1ALDH1A1CYP3A4
SCHEMBL9019686 0.77 TBXA2R (0.48) TBXA2RPTGDR2TBXAS1
SCHEMBL10412741 0.77 PTGDR (0.57) PTGDRTBXA2RMEN1ALDH1A1CYP3A4

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