SCHEMBL11091173

SCHEMBL11091173

CNC1(c2ccc(OC)cc2)CCC(=O)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.55
OPRL1 P41146 4/20 0.55
F10 P00742 5/20 0.47
KCNA3 P22001 1/20 0.44
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD11B1 P28845 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL12745220 0.86 OPRM1 (0.69) OPRM1OPRL1F10SLC6A4SLC6A3
SCHEMBL16461202 0.82 OPRM1 (0.60) OPRM1OPRL1SLC6A4SLC6A3ALDH1A1
SCHEMBL11073705 0.81 HDAC3 (0.44) OPRM1OPRL1KCNA3SLC6A4ALDH1A1
SCHEMBL11097091 0.81 SLC6A4 (0.39) OPRM1OPRL1F10SLC6A4SLC6A3
SCHEMBL8284915 0.81 OPRM1 (0.59) OPRM1OPRL1SLC6A4SLC6A3GRIN1
SCHEMBL11092230 0.80 PDE4B (0.47) SLC6A4HDAC3HDAC1HDAC2HDAC6
SCHEMBL11067006 0.79 SLC6A4 (0.44) OPRM1OPRL1SLC6A4SLC6A3HSD11B1
SCHEMBL11092884 0.79 SLC6A4 (0.40) OPRM1OPRL1F10SLC6A4SLC6A3
SCHEMBL11091107 0.79 HSD11B1 (0.41) OPRM1OPRL1F10SLC6A4SLC6A3
Ethylene SCHEMBL11079878 0.79 HDAC3 (0.43) OPRM1OPRL1KCNA3SLC6A4HSD11B1

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 4 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-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