SCHEMBL11099050

SCHEMBL11099050

CN(C)C1(c2ccc(C(C)(C)C)cc2)CCC(=O)CC1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 14/20 0.46
OPRL1 P41146 14/20 0.46
OPRK1 P41145 3/20 0.41
HSD11B1 P28845 1/20 0.40
PDE2A O00408 1/20 0.36
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Ethylene SCHEMBL11096481 0.97 OPRM1 (0.44) OPRM1OPRL1OPRK1HSD11B1PDE2A
SCHEMBL11090584 0.85 OPRM1 (0.66) OPRM1OPRL1OPRK1HSD11B1PDE2A
SCHEMBL11078629 0.80 OPRL1 (0.51) OPRM1OPRL1OPRK1HSD11B1MEN1
SCHEMBL517788 0.79 OPRM1 (0.44) OPRM1OPRL1OPRK1HSD11B1MEN1
SCHEMBL4014546 0.79 OPRM1 (0.46) OPRM1OPRL1OPRK1HSD11B1MEN1
SCHEMBL4022665 0.79 OPRM1 (0.44) OPRM1OPRL1OPRK1HSD11B1MEN1
SCHEMBL517752 0.78 OPRL1 (0.69) OPRM1OPRL1OPRK1MEN1CYP2C9
Hydrochloric Acid SCHEMBL11098093 0.77 OPRM1 (0.42) OPRM1OPRL1OPRK1HSD11B1MEN1
SCHEMBL7669838 0.77 MAPT (0.48) HSD11B1PDE2AMEN1CYP2C9KMT2A
SCHEMBL3404808 0.76 OPRM1 (0.65) OPRM1OPRL1OPRK1

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
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US disclosed