SCHEMBL4680665

SCHEMBL4680665

C[CH]N(C)CCc1cccc(OC)c1

nearest known ligand 0.67

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.67
TAAR1 Q96RJ0 3/20 0.56
SIGMAR1 Q99720 2/20 0.53
CHRM2 P08172 3/20 0.53
CHRM1 P11229 3/20 0.53
CHRM3 P20309 3/20 0.53
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
CALM1 P0DP23 1/20 0.48
CAMKK2 Q96RR4 1/20 0.48
HRH3 Q9Y5N1 1/20 0.48
IDO1 P14902 2/20 0.47
AGXT P21549 2/20 0.47

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
SCHEMBL13801215 0.86 AOC3 (0.65) AOC3TAAR1SIGMAR1CHRM2CHRM1
SCHEMBL4526552 0.83 CALM1 (0.54) AOC3TAAR1SIGMAR1CHRM2CHRM1
SCHEMBL44276 0.83 AOC3 (0.75) AOC3TAAR1SIGMAR1CHRM2CHRM1
SCHEMBL18122711 0.83 AOC3 (0.75) AOC3TAAR1SIGMAR1CHRM2CHRM1
Hydrochloric Acid SCHEMBL8508344 0.81 AOC3 (0.73) AOC3TAAR1SIGMAR1CHRM2CHRM1
SCHEMBL4680668 0.79 AOC3 (0.69) AOC3TAAR1SIGMAR1CHRM2CHRM1
SCHEMBL723511 0.78 TAAR1 (0.77) AOC3TAAR1SIGMAR1CHRM2CHRM1
SCHEMBL30080050 0.78 TAAR1 (0.77) AOC3TAAR1SIGMAR1CHRM2CHRM1
SCHEMBL555038 0.77 AOC3 (0.66) AOC3TAAR1SIGMAR1CHRM2CHRM1
SCHEMBL5271881 0.77 AOC3 (0.66) AOC3TAAR1SIGMAR1CHRM2CHRM1

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-1416933-B8 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC (US) 2008-08-27 EP disclosed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP disclosed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO disclosed