SCHEMBL9019676

SCHEMBL9019676

O=C(O)CC1CCc2c(n(Cc3ccc(-n4ccnc4)cc3)c3ccc(F)cc23)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 7/20 0.47
TBXAS1 P24557 4/20 0.41
HDAC3 O15379 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC10 Q969S8 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC2 Q92769 2/20 0.40
PTGDR2 Q9Y5Y4 7/20 0.40
HDAC4 P56524 3/20 0.39
HDAC7 Q8WUI4 3/20 0.39
HDAC9 Q9UKV0 3/20 0.39
HDAC5 Q9UQL6 3/20 0.39
HDAC11 Q96DB2 2/20 0.39
AKR1B1 P15121 1/20 0.39
FFAR1 O14842 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
SCHEMBL9019683 0.95 TBXA2R (0.51) TBXA2RTBXAS1HDAC3HDAC1HDAC10
SCHEMBL9019686 0.90 TBXA2R (0.48) TBXA2RTBXAS1HDAC3HDAC1HDAC10
SCHEMBL9019673 0.88 PTGDR (0.47) TBXA2RTBXAS1PTGDR2FFAR1
SCHEMBL9019726 0.86 TBXA2R (0.52) TBXA2RTBXAS1PTGDR2
SCHEMBL9019713 0.85 TBXA2R (0.53) TBXA2RTBXAS1HDAC3HDAC1HDAC10
SCHEMBL9019678 0.84 TBXA2R (0.42) TBXA2RTBXAS1HDAC3HDAC1HDAC10
SCHEMBL9019682 0.83 TBXA2R (0.52) TBXA2RPTGDR2
SCHEMBL9019680 0.82 TBXA2R (0.72) TBXA2RTBXAS1
SCHEMBL9019718 0.82 TBXA2R (0.69) TBXA2RTBXAS1
SCHEMBL9019712 0.80 TBXA2R (0.53) TBXA2RTBXAS1PTGDR2

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