SCHEMBL9019741

SCHEMBL9019741

NC(=O)CC1CCCc2c1n(Cc1ccc(-n3ccnc3)cc1)c1ccc(F)cc21

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 15/20 0.61
TBXAS1 P24557 8/20 0.52
PDE2A O00408 5/20 0.51
PTGDR Q13258 4/20 0.46
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPT P10636 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43
KMT2A Q03164 1/20 0.43
HSD17B10 Q99714 1/20 0.43

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
SCHEMBL9019680 0.93 TBXA2R (0.72) TBXA2RTBXAS1PDE2APTGDRMEN1
SCHEMBL9019718 0.91 TBXA2R (0.69) TBXA2RTBXAS1PDE2APTGDRMEN1
SCHEMBL9019685 0.88 TBXA2R (0.57) TBXA2RTBXAS1PDE2APTGDRMEN1
SCHEMBL9019690 0.88 TBXA2R (0.56) TBXA2RTBXAS1PDE2APTGDRMEN1
SCHEMBL9019689 0.84 TBXA2R (0.71) TBXA2RTBXAS1PDE2APTGDRMEN1
SCHEMBL9019738 0.83 TBXA2R (0.65) TBXA2RTBXAS1PDE2APTGDR
SCHEMBL9019681 0.83 TBXA2R (0.57) TBXA2RTBXAS1PDE2APTGDRMEN1
SCHEMBL9019688 0.82 TBXA2R (0.74) TBXA2RTBXAS1PDE2APTGDRMEN1
SCHEMBL9019721 0.80 TBXA2R (0.49) TBXA2RTBXAS1PDE2APTGDR
SCHEMBL9019684 0.80 TBXA2R (0.72) TBXA2RPDE2APTGDRMEN1ALDH1A1

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