SCHEMBL27582471

SCHEMBL27582471

COc1cccc(CC(Cc2cccc(OC)c2)CN(C)C)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 3/20 0.60
▸ AOC3 Q16853 2/20 0.51
▸ CALM1 P0DP23 1/20 0.49
▸ CAMKK2 Q96RR4 1/20 0.49
▸ IDO1 P14902 2/20 0.49
▸ AGXT P21549 2/20 0.49
▸ CYP2D6 P10635 2/20 0.48
▸ HTR2A P28223 2/20 0.48
▸ CHRM2 P08172 2/20 0.46
▸ CHRM1 P11229 1/20 0.46
▸ CHRM3 P20309 1/20 0.46
▸ HTR1B P28222 1/20 0.46
▸ CMA1 P23946 1/20 0.45
▸ CYP1A2 P05177 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
SCHEMBL27561802 0.94 TAAR1 (0.54) TAAR1AOC3CALM1CAMKK2IDO1
SCHEMBL27553988 0.87 TAAR1 (0.50) TAAR1AOC3CALM1CAMKK2IDO1
SCHEMBL26628603 0.85 TAAR1 (0.63) TAAR1AOC3CALM1CAMKK2IDO1
SCHEMBL21594142 0.85 TAAR1 (0.63) TAAR1AOC3CALM1CAMKK2IDO1
SCHEMBL26613652 0.85 TAAR1 (0.63) TAAR1AOC3CALM1CAMKK2IDO1
SCHEMBL28137582 0.79 TAAR1 (0.55) TAAR1AOC3CALM1CAMKK2IDO1
SCHEMBL850832 0.77 CALM1 (0.64) TAAR1AOC3CALM1CAMKK2IDO1
SCHEMBL29547354 0.77 CALM1 (0.64) TAAR1AOC3CALM1CAMKK2IDO1
SCHEMBL7450409 0.77 TAAR1 (0.70) TAAR1AOC3IDO1AGXTCHRM2
SCHEMBL449889 0.77 TAAR1 (0.76) TAAR1AOC3IDO1AGXTCHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1373745-A 3-amino-2-benzyl-1-phenyl-propane derivs. GREULENTHAL GMBH (DE) 2002-10-09 — — CN claimed
CN-1369011-A Attenuated human-bovine chimeric parainfluenza virus (PIV) vaccines US GOV HEALTH & HUMAN SERV (US) 2002-09-11 — — CN disclosed
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