SCHEMBL874249

SCHEMBL874249

COc1cccc(CC[C@@H](C(C)C)N(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 1/20 0.55
▸ TAAR1 Q96RJ0 3/20 0.53
▸ CHRM2 P08172 2/20 0.50
▸ CHRM1 P11229 2/20 0.50
▸ CHRM3 P20309 2/20 0.50
▸ SIGMAR1 Q99720 2/20 0.48
▸ ABCB1 P08183 2/20 0.46
▸ HTR1A P08908 2/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ HRH3 Q9Y5N1 1/20 0.46
▸ CYP2D6 P10635 2/20 0.45
▸ HTR2A P28223 2/20 0.45
▸ IDO1 P14902 1/20 0.45
▸ AGXT P21549 1/20 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
SCHEMBL11991410 0.80 TAAR1 (0.62) AOC3TAAR1CHRM2CHRM1CHRM3
SCHEMBL5477927 0.78 TAAR1 (0.56) AOC3TAAR1CHRM2CHRM1CHRM3
SCHEMBL267087 0.78 TAAR1 (0.72) AOC3TAAR1CHRM2CHRM1CHRM3
SCHEMBL30080050 0.76 TAAR1 (0.77) AOC3TAAR1CHRM2CHRM1CHRM3
SCHEMBL723511 0.76 TAAR1 (0.77) AOC3TAAR1CHRM2CHRM1CHRM3
SCHEMBL14668122 0.74 CHRM2 (0.59) AOC3TAAR1CHRM2CHRM1CHRM3
SCHEMBL44276 0.74 AOC3 (0.75) AOC3TAAR1CHRM2CHRM1CHRM3
SCHEMBL18122711 0.74 AOC3 (0.75) AOC3TAAR1CHRM2CHRM1CHRM3
SCHEMBL24440174 0.73 TAAR1 (0.53) TAAR1CHRM2CHRM1CHRM3
SCHEMBL21002162 0.73 TAAR1 (0.71) AOC3TAAR1CHRM2CHRM1CHRM3

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
EP-2619174-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE Ind-Swift Laboratories Limited (IN) 2013-07-31 — — EP disclosed
WO-2012038974-A1 PROCESS FOR PREPARING L-PHENYL-3-DIMETHYLAMINOPROPANE DERIVATIVE IND-SWIFT LABORATORIES LIMITED (IN) 2012-03-29 — — WO disclosed
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