SCHEMBL10486756

SCHEMBL10486756

CC1(C)CN(CCNC2CCCCCCC2)C(=O)C(C)(C)N1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAD52 P43351 1/20 0.39
OPRM1 P35372 6/20 0.37
OPRD1 P41143 6/20 0.37
OPRK1 P41145 6/20 0.37
OPRL1 P41146 6/20 0.37
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CXCR4 P61073 5/20 0.33
TYMP P19971 1/20 0.33
CXCL12 P48061 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
HPGD P15428 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
SCHEMBL9326448 1.00 RAD52 (0.39) RAD52OPRM1OPRD1OPRK1OPRL1
SCHEMBL10486749 1.00 RAD52 (0.39) RAD52OPRM1OPRD1OPRK1OPRL1
SCHEMBL9351938 0.92 KDM4E (0.40) RAD52OPRM1OPRD1OPRK1OPRL1
SCHEMBL9329224 0.80 OPRM1 (0.38) RAD52OPRM1OPRD1OPRK1OPRL1
SCHEMBL9326406 0.77 OPRM1 (0.32) OPRM1OPRD1OPRK1OPRL1
SCHEMBL77388 0.77 POLB (0.33)
SCHEMBL10664933 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL13508232 0.77 OPRM1 (0.40) RAD52OPRM1OPRD1OPRK1OPRL1
SCHEMBL10486753 0.76 ALDH1A1 (0.30) ALDH1A1
SCHEMBL9488985 0.75 RAD52 (0.54) RAD52KDM4ELMNAMEN1ALDH1A1

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-4841053-A Process for desensitizing a 1-(alkylamino)alkyl-polysubstituted piperazinone during recovery THE B. F. GOODRICH COMPANY (US) 1989-06-20 US disclosed