SCHEMBL4598449

SCHEMBL4598449

C=CCN1CC(C)N(C(=O)O)CC1C

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 5/20 0.46
MAPT P10636 2/20 0.43
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
HPGD P15428 2/20 0.41
CYP2C19 P33261 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.37
OPRM1 P35372 1/20 0.36
PRKCB P05771 1/20 0.36
TSHR P16473 1/20 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
SCHEMBL6919165 1.00 OPRD1 (0.46) OPRD1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL4598452 1.00 OPRD1 (0.46) OPRD1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL13993922 0.86 MAPT (0.43) OPRD1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL4575839 0.81 TSHR (0.43) OPRD1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL4575836 0.81 TSHR (0.43) OPRD1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL3851995 0.79
SCHEMBL12336928 0.79 TSHR (0.41) OPRD1MAPTKDM4ECYP1A2CYP3A4
SCHEMBL29942458 0.77 TSHR (0.54) MAPTSMN1; SMN2TSHR
SCHEMBL29942704 0.77 TSHR (0.54) MAPTSMN1; SMN2TSHR
SCHEMBL20820009 0.74

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 4 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-A9 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS INC (US) 2004-04-29 WO disclosed
WO-2003057223-A1 METHOD OF TREATING SEXUAL DYSFUNCTIONS WITH DELTA OPIOID RECEPTOR AGONIST COMPOUNDS ARDENT PHARMACEUTICALS, INC. (US) 2003-07-17 WO disclosed