SCHEMBL9019672

SCHEMBL9019672

O=C(O)CC1CCCc2c1[nH]c1ccc(F)cc21

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 9/20 0.60
S1PR1 P21453 8/20 0.56
MAPKAPK2 P49137 1/20 0.55
S1PR4 O95977 1/20 0.50
ADORA3 P0DMS8 1/20 0.50
S1PR5 Q9H228 1/20 0.50
TBXA2R P21731 2/20 0.49

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
SCHEMBL5421567 0.93 S1PR1 (0.59) BRD3S1PR1MAPKAPK2S1PR4ADORA3
SCHEMBL30762338 0.93 S1PR1 (0.59) BRD3S1PR1MAPKAPK2S1PR4ADORA3
SCHEMBL29141416 0.93 S1PR1 (0.59) BRD3S1PR1MAPKAPK2S1PR4ADORA3
SCHEMBL5088953 0.93 S1PR1 (0.59) BRD3S1PR1MAPKAPK2S1PR4ADORA3
SCHEMBL9459050 0.86 SIRT1 (0.62) S1PR1MAPKAPK2S1PR4ADORA3S1PR5
SCHEMBL6692543 0.86 S1PR1 (0.53) BRD3S1PR1MAPKAPK2S1PR4ADORA3
SCHEMBL9019716 0.83 BRD3 (0.55) BRD3S1PR1MAPKAPK2
SCHEMBL832934 0.82 SIRT1 (0.60) BRD3S1PR1MAPKAPK2TBXA2R
SCHEMBL1872852 0.81 SIRT1 (0.73) BRD3MAPKAPK2
SCHEMBL9518113 0.81 TBXA2R (0.48) S1PR1TBXA2R

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 8 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
EP-0234708-B1 TETRAHYDROCARBAZOLE 1-ALKANOIC ACIDS MERCK FROSST CANADA INC. (CA) 1991-02-27 EP disclosed
EP-0307077-A1 Tetrahydrocarbazoles for the improvement of cyclosporin therapy MERCK FROSST CANADA INC. (CA) 1989-03-15 EP disclosed
US-4808608-A ANTIALLERGENS, HYPOTENSIVE AGENT, ANTICOAGULANT MERCK & CO., INC. (US) 1989-02-28 US disclosed
EP-0300676-A2 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1989-01-25 EP disclosed
EP-0234708-A1 Tetrahydrocarbazole 1-alkanoic acids MERCK FROSST CANADA INC. (CA) 1987-09-02 EP disclosed