SCHEMBL4680720

SCHEMBL4680720

NC[CH]CC1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.39
ADH1B P00325 1/20 0.34
ADH1C P00326 1/20 0.34
ADH1A P07327 1/20 0.34
ADH4 P08319 1/20 0.34
ADH7 P40394 1/20 0.34
EPHX1 P07099 1/20 0.33
CYP2D6 P10635 1/20 0.32
CHRM5 P08912 2/20 0.32
CYP1A2 P05177 1/20 0.32
ADRA2C P18825 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM1 P11229 1/20 0.32
ALOX5 P09917 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL4675936 0.86
SCHEMBL6873949 0.83 ADH1B (0.40) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL3848698 0.83 ADH1B (0.40) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL2021416 0.83 ADH1B (0.40) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL5462678 0.80 ADH1B (0.39) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL6766085 0.80 ADH1B (0.36) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL5545187 0.77 SIGMAR1 (0.38) SIGMAR1ADH1BADH1CADH1AADH4
Hydrochloric Acid SCHEMBL9718288 0.75 SIGMAR1 (0.37) SIGMAR1ADH1BADH1CADH1AADH4
Hydrochloric Acid SCHEMBL9718287 0.75 SIGMAR1 (0.37) SIGMAR1ADH1BADH1CADH1AADH4
SCHEMBL866538 0.74 CYP1A2 (0.42) SIGMAR1ADH1BADH1CADH1AADH4

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 5 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 claimed
EP-1416933-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgem, Inc. (US) 2004-05-12 EP claimed
EP-1417190-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR Amgen Inc. (US) 2004-05-12 EP claimed
WO-2003009847-A1 SUBSTITUTED PIPERIDINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEM, INC. (US) 2003-02-06 WO claimed
WO-2003009850-A1 SUBSTITUTED PIPERAZINES AS MODULATORS OF THE MELANOCORTIN RECEPTOR AMGEN INC. (US) 2003-02-06 WO claimed