SCHEMBL9019683

SCHEMBL9019683

O=C(O)CC1CCCc2c(n(Cc3ccc(-n4ccnc4)cc3)c3ccc(F)cc23)C1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 13/20 0.51
TBXAS1 P24557 8/20 0.45
PTGDR Q13258 2/20 0.40
HDAC3 O15379 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC2 Q92769 1/20 0.39
PDE2A O00408 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
AKR1B1 P15121 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL9019676 0.95 TBXA2R (0.47) TBXA2RTBXAS1HDAC3HDAC1HDAC10
SCHEMBL9019726 0.91 TBXA2R (0.52) TBXA2RTBXAS1PTGDR2
SCHEMBL9019713 0.90 TBXA2R (0.53) TBXA2RTBXAS1PTGDRHDAC3HDAC1
SCHEMBL9019678 0.89 TBXA2R (0.42) TBXA2RTBXAS1HDAC3HDAC1HDAC10
SCHEMBL9019682 0.88 TBXA2R (0.52) TBXA2RPTGDRPDE2APTGDR2HRH3
SCHEMBL9019680 0.85 TBXA2R (0.72) TBXA2RTBXAS1PTGDRPDE2A
SCHEMBL9019686 0.85 TBXA2R (0.48) TBXA2RTBXAS1HDAC3HDAC1HDAC10
SCHEMBL9019712 0.85 TBXA2R (0.53) TBXA2RTBXAS1PTGDR2
SCHEMBL10412691 0.84 TBXA2R (0.70) TBXA2RTBXAS1PTGDRPDE2APTGDR2
SCHEMBL9019718 0.84 TBXA2R (0.69) TBXA2RTBXAS1PTGDRPDE2A

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