SCHEMBL4599654

SCHEMBL4599654

CCCCCN1C[C@@H](C)NC[C@@H]1C

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.56
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
EBP Q15125 1/20 0.38
GBA2 Q9HCG7 10/20 0.37
GAA P10253 2/20 0.37
GBA1 P04062 5/20 0.36

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
SCHEMBL4599655 1.00 SIGMAR1 (0.56) SIGMAR1CHRM2CHRM1EBPGBA2
SCHEMBL3100817 1.00 SIGMAR1 (0.56) SIGMAR1CHRM2CHRM1EBPGBA2
SCHEMBL3106101 0.98 SIGMAR1 (0.55) SIGMAR1CHRM2CHRM1EBPGBA2
SCHEMBL6488211 0.98 SIGMAR1 (0.55) SIGMAR1CHRM2CHRM1EBPGBA2
SCHEMBL3090051 0.94 SIGMAR1 (0.58) SIGMAR1CHRM2CHRM1GBA2GAA
SCHEMBL24965969 0.86 SIGMAR1 (0.53) SIGMAR1CHRM2CHRM1GAA
SCHEMBL14135342 0.86 SIGMAR1 (0.53) SIGMAR1CHRM2CHRM1GAA
SCHEMBL15217044 0.86 SIGMAR1 (0.53) SIGMAR1CHRM2CHRM1GAA
SCHEMBL3100760 0.86 SIGMAR1 (0.53) SIGMAR1CHRM2CHRM1GAA
SCHEMBL15080727 0.81 SIGMAR1 (0.56) SIGMAR1CHRM2CHRM1

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-1469850-A4 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS INC (US) 2008-03-12 EP disclosed
EP-1469850-A1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS Ardent Pharmaceuticals, Inc. (US) 2004-10-27 EP disclosed
WO-2003057223-A1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS, INC. (US) 2003-07-17 WO disclosed