SCHEMBL9019716

SCHEMBL9019716

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

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRD3 Q15059 12/20 0.55
MAPKAPK2 P49137 1/20 0.46
S1PR1 P21453 2/20 0.45
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
CDKN1A P38936 1/20 0.44
SIRT1 Q96EB6 2/20 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
SCHEMBL9019672 0.83 BRD3 (0.60) BRD3MAPKAPK2S1PR1
SCHEMBL4105569 0.80 KMT2A (0.52) BRD3MAPKAPK2S1PR1HTR2AHTR2C
SCHEMBL13376384 0.76 KMT2A (0.52) BRD3S1PR1CDKN1ASIRT1
SCHEMBL30762338 0.76 S1PR1 (0.59) BRD3MAPKAPK2S1PR1
SCHEMBL5421567 0.76 S1PR1 (0.59) BRD3MAPKAPK2S1PR1
SCHEMBL5088953 0.76 S1PR1 (0.59) BRD3MAPKAPK2S1PR1
SCHEMBL29141416 0.76 S1PR1 (0.59) BRD3MAPKAPK2S1PR1
SCHEMBL6692540 0.76 S1PR1 (0.48) BRD3MAPKAPK2S1PR1HTR2AHTR2C
SCHEMBL9658727 0.74 SIRT1 (0.56) MAPKAPK2S1PR1HTR2AHTR2CCDKN1A
SCHEMBL16266024 0.73 MAPT (0.77) BRD3SIRT1

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 3 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