SCHEMBL11642156

SCHEMBL11642156

CC(C)(CN)C1CCCC12C(=O)Nc1ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRL1 P41146 1/20 0.43
ALDH1A1 P00352 1/20 0.41
GSK3B P49841 1/20 0.40
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
APOBEC3A P31941 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
APOBEC3G Q9HC16 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
MAPK1 P28482 1/20 0.38
IDO1 P14902 1/20 0.37
BACE1 P56817 1/20 0.37
NR1H2 P55055 3/20 0.36
RXRA P19793 2/20 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
SCHEMBL11643883 0.96 OPRM1 (0.45) OPRM1OPRK1OPRL1ALDH1A1GSK3B
SCHEMBL3524191 0.76 ALDH1A1 (0.48) OPRM1OPRK1OPRL1ALDH1A1GSK3B
SCHEMBL11640312 0.73 HRH3 (0.34) OPRM1OPRK1OPRL1ALDH1A1HSD17B10
SCHEMBL19216470 0.72 GSK3B (0.59) ALDH1A1GSK3BPDK2PDK4APOBEC3A
SCHEMBL30548926 0.72 GSK3B (0.59) ALDH1A1GSK3BPDK2PDK4APOBEC3A
SCHEMBL2573765 0.72 GSK3B (0.59) ALDH1A1GSK3BPDK2PDK4APOBEC3A
SCHEMBL3523663 0.71 MEN1 (0.44) OPRM1OPRK1OPRL1ALDH1A1GSK3B
SCHEMBL4892684 0.71 ALDH1A1 (0.41) OPRM1OPRK1OPRL1ALDH1A1GSK3B
SCHEMBL11642045 0.69 ALDH1A1 (0.35) OPRM1OPRK1OPRL1ALDH1A1POLB
SCHEMBL10836894 0.69 OPRM1 (0.39) OPRM1OPRK1OPRL1ALDH1A1GSK3B

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-4123543-A ANTIDEPRESSANTS AB KABI (SE) 1978-10-31 US claimed