SCHEMBL8116233

SCHEMBL8116233

COc1ccc(CC2CCN(C(=O)c3nccc4ccccc34)CC2)cc1OC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 2/20 0.58
▸ CHRM2 P08172 1/20 0.54
▸ MEN1 O00255 2/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ PDE4B Q07343 5/20 0.46
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ MAPK14 Q16539 1/20 0.44
▸ MGLL Q99685 1/20 0.44

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
SCHEMBL8120811 0.85 CCR3 (0.59) CCR3CHRM2MEN1KMT2APDE4B
SCHEMBL8121833 0.84 PDE4B (0.50) MEN1KMT2APDE4BCYP2C9CYP2C19
SCHEMBL8115032 0.83 PDE4B (0.61) MEN1KMT2APDE4BCYP2C9CYP2C19
SCHEMBL8121936 0.83 CYP2C9 (0.48) CHRM2MEN1KMT2APDE4BCYP2C9
SCHEMBL8106334 0.83 TRPC6 (0.50) MEN1KMT2APDE4BCYP2C9CYP2C19
SCHEMBL8121034 0.81 CCR3 (0.58) CCR3MEN1KMT2APDE4BCYP2C9
SCHEMBL8119965 0.81 CCR3 (0.58) CCR3CHRM2MEN1KMT2APDE4B
SCHEMBL8122481 0.81 MEN1 (0.48) MEN1KMT2APDE4BCYP2C9CYP2C19
SCHEMBL8120528 0.81 PDE4B (0.59) PDE4B
SCHEMBL8123484 0.81 PDE4B (0.48) PDE4BMGLL

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-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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