SCHEMBL4680668

SCHEMBL4680668

CCN(C)CCc1cccc(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 1/20 0.69
SIGMAR1 Q99720 2/20 0.62
TAAR1 Q96RJ0 1/20 0.57
HTR2A P28223 1/20 0.57
CHRM2 P08172 2/20 0.54
CHRM1 P11229 2/20 0.54
CHRM3 P20309 2/20 0.54
ACHE P22303 4/20 0.52
CALM1 P0DP23 1/20 0.49
CAMKK2 Q96RR4 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

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
SCHEMBL18122711 0.91 AOC3 (0.75) AOC3SIGMAR1TAAR1CHRM2CHRM1
SCHEMBL15790970 0.85 BCHE (0.56) AOC3SIGMAR1TAAR1HTR2AACHE
SCHEMBL5271881 0.85 AOC3 (0.66) AOC3SIGMAR1TAAR1CHRM2CHRM1
SCHEMBL44276 0.84 AOC3 (0.75) AOC3SIGMAR1TAAR1HTR2ACHRM2
SCHEMBL4526554 0.83 CALM1 (0.55) AOC3TAAR1CHRM2CHRM1CHRM3
Hydrochloric Acid SCHEMBL8508344 0.83 AOC3 (0.73) AOC3SIGMAR1TAAR1HTR2ACHRM2
SCHEMBL8828373 0.81 AOC3 (0.66) AOC3SIGMAR1TAAR1CHRM2CHRM1
SCHEMBL27061745 0.80 AOC3 (0.60) AOC3SIGMAR1TAAR1CHRM2CHRM1
SCHEMBL9162083 0.80 AOC3 (0.64) AOC3SIGMAR1TAAR1CHRM2CHRM1
SCHEMBL11655881 0.80 AOC3 (0.64) AOC3SIGMAR1TAAR1CHRM2CHRM1

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