SCHEMBL13508232

SCHEMBL13508232

CC1(C)CN(CCNC2CCCCC2)C(=O)C(C)(C)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 6/20 0.40
OPRD1 P41143 6/20 0.40
OPRK1 P41145 6/20 0.40
OPRL1 P41146 6/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
RAD52 P43351 1/20 0.37
CXCR4 P61073 6/20 0.33
CXCL12 P48061 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
TAAR1 Q96RJ0 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
SCHEMBL9329224 0.78 OPRM1 (0.38) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL9326448 0.77 RAD52 (0.39) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL10486749 0.77 RAD52 (0.39) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL10486756 0.77 RAD52 (0.39) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL8852095 0.77 RAB9A (0.33) L3MBTL1
SCHEMBL13508159 0.74
SCHEMBL9351938 0.69 KDM4E (0.40) OPRM1OPRD1OPRK1OPRL1KDM4E
SCHEMBL12601101 0.68 RAB9A (0.32) L3MBTL1
SCHEMBL10064558 0.65
SCHEMBL8282906 0.64 PIK3CD (0.51)

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100048773-A1 AGRICULTURAL ARTICLES BONORA MICHELA 2010-02-25 US disclosed