SCHEMBL11078629

SCHEMBL11078629

Cc1ccc(C2(N(C)C)CCC(=O)CC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.51
OPRM1 P35372 10/20 0.51
OPRK1 P41145 3/20 0.51
MEN1 O00255 1/20 0.38
CYP2C9 P11712 1/20 0.38
KMT2A Q03164 1/20 0.38
MAOB P27338 3/20 0.37
MAOA P21397 1/20 0.37
HSD11B1 P28845 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
SCHEMBL3407450 0.84 OPRL1 (0.54) OPRL1OPRM1OPRK1MAOBMAOA
SCHEMBL8351738 0.83 OPRM1 (0.67) OPRL1OPRM1OPRK1MAOBMAOA
SCHEMBL517788 0.83 OPRM1 (0.44) OPRL1OPRM1OPRK1MEN1CYP2C9
SCHEMBL4014546 0.83 OPRM1 (0.46) OPRL1OPRM1OPRK1MEN1CYP2C9
SCHEMBL4022665 0.83 OPRM1 (0.44) OPRL1OPRM1OPRK1MEN1CYP2C9
SCHEMBL517752 0.82 OPRL1 (0.69) OPRL1OPRM1OPRK1MEN1CYP2C9
Hydrochloric Acid SCHEMBL11098093 0.81 OPRM1 (0.42) OPRL1OPRM1OPRK1MEN1CYP2C9
SCHEMBL3404808 0.80 OPRM1 (0.65) OPRL1OPRM1OPRK1MAOBMAOA
Ethylene SCHEMBL11079292 0.80 OPRM1 (0.41) OPRL1OPRM1OPRK1MEN1CYP2C9
SCHEMBL11099050 0.80 OPRM1 (0.46) OPRL1OPRM1OPRK1MEN1CYP2C9

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 9 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 claimed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US claimed
US-4460604-A ANALGESICS, NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1984-07-17 US disclosed
US-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 US disclosed
US-4366172-A ANALGESICS THE UPJOHN COMPANY (US) 1982-12-28 US disclosed
US-4180584-A ANALGESIC; NARCOTIC ANTAGONIST THE UPJOHN COMPANY (US) 1979-12-25 US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 US disclosed
US-4065573-A ANALGESICS THE UPJOHN COMPANY (US) 1977-12-27 US disclosed
US-4059448-A SILVER HALIDE, POLY(2-DIETHYLAMINOETHYL METHACRYLATE FUJI PHOTO FILM CO., LTD. (JA) 1977-11-22 US disclosed