SCHEMBL11097091

SCHEMBL11097091

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
OPRM1 P35372 5/20 0.39
OPRL1 P41146 5/20 0.39
OPRK1 P41145 1/20 0.39
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HSD11B1 P28845 2/20 0.35
CRBN Q96SW2 1/20 0.33
MAOB P27338 3/20 0.32
MAOA P21397 1/20 0.32
F10 P00742 2/20 0.32

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
SCHEMBL8351053 0.84 OPRM1 (0.50) OPRM1OPRL1OPRK1HDAC3HDAC1
SCHEMBL11091107 0.84 HSD11B1 (0.41) SLC6A4SLC6A3OPRM1OPRL1OPRK1
SCHEMBL11092884 0.84 SLC6A4 (0.40) SLC6A4SLC6A3OPRM1OPRL1OPRK1
SCHEMBL11067006 0.84 SLC6A4 (0.44) SLC6A4SLC6A3OPRM1OPRL1OPRK1
SCHEMBL735724 0.83 MEN1 (0.57) OPRM1OPRL1OPRK1MEN1CYP2C9
Hydrochloric Acid SCHEMBL11093542 0.81 MEN1 (0.55) OPRM1OPRL1OPRK1MEN1CYP2C9
Ethylene SCHEMBL11096036 0.81 SLC6A3 (0.42) SLC6A4SLC6A3OPRM1OPRL1OPRK1
SCHEMBL11091173 0.81 OPRM1 (0.55) SLC6A4SLC6A3OPRM1OPRL1HDAC3
SCHEMBL8353549 0.80 OPRM1 (0.43) OPRM1OPRL1OPRK1KMT2AHDAC3
SCHEMBL8353019 0.80 OPRM1 (0.43) OPRM1OPRL1OPRK1KMT2AHDAC3

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