SCHEMBL11074012

SCHEMBL11074012

CN(C)C1(c2cccc(O)c2)CCC(=O)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.43
OPRL1 P41146 8/20 0.43
OPRK1 P41145 3/20 0.43
OPRD1 P41143 2/20 0.43
SIGMAR1 Q99720 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 2/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
Cyclopropane SCHEMBL11098599 0.97 OPRM1 (0.42) OPRM1OPRL1OPRK1OPRD1SIGMAR1
Ethylene SCHEMBL10832290 0.97 OPRD1 (0.41) OPRM1OPRL1OPRK1OPRD1SIGMAR1
SCHEMBL11557913 0.87 OPRM1 (0.43) OPRM1OPRK1OPRD1SIGMAR1MEN1
SCHEMBL11092002 0.86 OPRM1 (0.44) OPRM1OPRK1OPRD1SIGMAR1MEN1
SCHEMBL11088337 0.85 SIGMAR1 (0.41) OPRM1OPRK1OPRD1SIGMAR1MEN1
Ethylene SCHEMBL11099465 0.84 OPRM1 (0.42) OPRM1OPRK1OPRD1SIGMAR1MEN1
SCHEMBL11094528 0.84 OPRM1 (0.42) OPRM1OPRL1OPRK1OPRD1MEN1
SCHEMBL11093463 0.84 DRD3 (0.39) OPRM1OPRD1SIGMAR1
SCHEMBL11559890 0.83 OPRM1 (0.38) OPRM1OPRL1OPRK1OPRD1SIGMAR1
SCHEMBL11090455 0.83 OPRM1 (0.38) OPRM1OPRL1OPRK1OPRD1SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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