SCHEMBL8120811

SCHEMBL8120811

COc1ccc(CC2CCN(C(=O)c3ccnc4ccccc34)CC2)cc1OC1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 2/20 0.59
▸ CHRM2 P08172 3/20 0.57
▸ CYP2C9 P11712 1/20 0.49
▸ CYP2C19 P33261 1/20 0.49
▸ MAPK14 Q16539 1/20 0.49
▸ FAP Q12884 3/20 0.48
▸ PDE4B Q07343 4/20 0.46
▸ KMT2A Q03164 4/20 0.45
▸ MEN1 O00255 2/20 0.45

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
SCHEMBL8120602 0.95 CHRM2 (0.55) CCR3CHRM2CYP2C9CYP2C19MAPK14
SCHEMBL8120972 0.88 CCR3 (0.59) CCR3CHRM2CYP2C9CYP2C19MAPK14
SCHEMBL8116233 0.85 CCR3 (0.58) CCR3CHRM2CYP2C9CYP2C19MAPK14
SCHEMBL8121833 0.85 PDE4B (0.50) CYP2C9CYP2C19MAPK14PDE4BKMT2A
SCHEMBL8115032 0.84 PDE4B (0.61) CYP2C9CYP2C19MAPK14PDE4BKMT2A
SCHEMBL8121936 0.84 CYP2C9 (0.48) CHRM2CYP2C9CYP2C19MAPK14PDE4B
SCHEMBL8114135 0.83 CHRM2 (0.57) CCR3CHRM2CYP2C9CYP2C19MAPK14
SCHEMBL8122400 0.83 CYP2C19 (0.50) CCR3CYP2C9CYP2C19MAPK14PDE4B
SCHEMBL8114719 0.83 HCRTR1 (0.52) CYP2C9CYP2C19MAPK14PDE4BKMT2A
SCHEMBL8116048 0.83 CCR3 (0.49) CCR3CYP2C9CYP2C19MAPK14PDE4B

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0831090-B1 N-substituted cyclic amines, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-04-12 — — EP claimed
US-5919801-A N-substituted piperidines as PDE4 inhibitors ADIR ET COMPAGNIE (FR) 1999-07-06 — — US claimed
EP-0831090-A1 N-substituted cyclic amines, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-03-25 — — EP claimed
EP-0831090-B1 N-substituted cyclic amines, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-04-12 — — EP disclosed
US-5919801-A N-substituted piperidines as PDE4 inhibitors ADIR ET COMPAGNIE (FR) 1999-07-06 — — US disclosed
EP-0831090-A1 N-substituted cyclic amines, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1998-03-25 — — EP disclosed
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