SCHEMBL9019678

SCHEMBL9019678

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXA2R P21731 9/20 0.42
TBXAS1 P24557 6/20 0.38
HDAC1 Q13547 5/20 0.38
HDAC6 Q9UBN7 5/20 0.38
HDAC3 O15379 4/20 0.38
HDAC10 Q969S8 4/20 0.38
HDAC8 Q9BY41 4/20 0.38
HDAC2 Q92769 2/20 0.38
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.37
MITF O75030 1/20 0.37
ALDH1A1 P00352 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PKM P14618 1/20 0.37
HDAC4 P56524 3/20 0.36
HDAC7 Q8WUI4 3/20 0.36
HDAC9 Q9UKV0 3/20 0.36
HDAC5 Q9UQL6 3/20 0.36

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 0.89 TBXA2R (0.51) TBXA2RTBXAS1HDAC1HDAC6HDAC3
SCHEMBL9019727 0.89 TBXA2R (0.43) TBXA2RKDM4EMAPTMEN1MITF
SCHEMBL9019685 0.87 TBXA2R (0.57) TBXA2RTBXAS1MAPTMEN1ALDH1A1
SCHEMBL9019676 0.84 TBXA2R (0.47) TBXA2RTBXAS1HDAC1HDAC6HDAC3
SCHEMBL9019726 0.81 TBXA2R (0.52) TBXA2RTBXAS1PTGDR2
SCHEMBL9019713 0.80 TBXA2R (0.53) TBXA2RTBXAS1HDAC1HDAC6HDAC3
SCHEMBL9019690 0.79 TBXA2R (0.56) TBXA2RTBXAS1MAPTMEN1ALDH1A1
SCHEMBL9019682 0.78 TBXA2R (0.52) TBXA2RMAPTMEN1ALDH1A1KMT2A
SCHEMBL9019710 0.77 TBXA2R (0.57) TBXA2RMAPTMEN1ALDH1A1KMT2A
SCHEMBL9019680 0.77 TBXA2R (0.72) TBXA2RTBXAS1MAPTMEN1ALDH1A1

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