SCHEMBL9019699

SCHEMBL9019699

CC(=O)OC1CCc2c(n(Cc3ccc(-n4ccnc4)cc3)c3c(F)cc(F)cc23)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 7/20 0.39
TBXA2R P21731 5/20 0.39
CYP3A4 P08684 2/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
PTGER3 P43115 3/20 0.36
PTGER2 P43116 3/20 0.36
PTGIR P43119 3/20 0.36
GNRHR P30968 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
FFAR1 O14842 2/20 0.35
SLC6A9 P48067 1/20 0.34
PTGER1 P34995 2/20 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
SCHEMBL9019673 0.84 PTGDR (0.47) PTGDRTBXA2RCYP3A4MEN1ALDH1A1
SCHEMBL9019682 0.81 TBXA2R (0.52) PTGDRTBXA2RCYP3A4MEN1ALDH1A1
SCHEMBL9019727 0.80 TBXA2R (0.43) PTGDRTBXA2RCYP3A4MEN1ALDH1A1
SCHEMBL9019714 0.74 TBXA2R (0.70) PTGDRTBXA2RCYP3A4MEN1ALDH1A1
SCHEMBL9019684 0.74 TBXA2R (0.72) PTGDRTBXA2RCYP3A4MEN1ALDH1A1
SCHEMBL9019710 0.74 TBXA2R (0.57) PTGDRTBXA2RCYP3A4MEN1ALDH1A1
SCHEMBL9019676 0.72 TBXA2R (0.47) TBXA2RFFAR1PTGDR2
SCHEMBL9019687 0.71 TBXA2R (0.49) PTGDRTBXA2RCYP3A4MEN1ALDH1A1
SCHEMBL9452905 0.70 TBXAS1 (0.48) PTGDRTBXA2RCYP3A4ALDH1A1CYP2C19
SCHEMBL9452899 0.69 PTGES2 (0.51) CYP3A4MAPTCYP2C9HPGDCYP2C19

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 3 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 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