SCHEMBL9019727

SCHEMBL9019727

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 2/20 0.43
PTGDR Q13258 2/20 0.43
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP2C19 P33261 1/20 0.42
HSD17B10 Q99714 1/20 0.42
KDM4E B2RXH2 1/20 0.37
MITF O75030 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE2A O00408 9/20 0.36
HRH3 Q9Y5N1 1/20 0.35
GNRHR P30968 1/20 0.34
FFAR1 O14842 1/20 0.34
SLC6A9 P48067 1/20 0.34

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 0.90 TBXA2R (0.52) TBXA2RPTGDRKMT2AMEN1ALDH1A1
SCHEMBL9019678 0.89 TBXA2R (0.42) TBXA2RKMT2AMEN1ALDH1A1MAPT
SCHEMBL9019710 0.87 TBXA2R (0.57) TBXA2RPTGDRKMT2AMEN1ALDH1A1
SCHEMBL9019673 0.85 PTGDR (0.47) TBXA2RPTGDRKMT2AMEN1ALDH1A1
SCHEMBL9019699 0.80 PTGDR (0.39) TBXA2RPTGDRKMT2AMEN1ALDH1A1
SCHEMBL9019683 0.78 TBXA2R (0.51) TBXA2RPTGDRPDE2AHRH3
SCHEMBL9019729 0.78 TBXA2R (0.37) TBXA2RPTGDRKMT2AMEN1ALDH1A1
SCHEMBL9019684 0.77 TBXA2R (0.72) TBXA2RPTGDRKMT2AMEN1ALDH1A1
SCHEMBL9019685 0.77 TBXA2R (0.57) TBXA2RPTGDRKMT2AMEN1ALDH1A1
SCHEMBL9019714 0.76 TBXA2R (0.70) TBXA2RPTGDRKMT2AMEN1ALDH1A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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