SCHEMBL11558462

SCHEMBL11558462

CCCCN(C)C1(c2cccc(OCCC)c2)CCC(=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.48
OPRL1 P41146 3/20 0.48
GRIN1 Q05586 1/20 0.43
GRIN2A Q12879 1/20 0.43
GRIN2B Q13224 1/20 0.43
ALOX5 P09917 1/20 0.40
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
KMT2A Q03164 1/20 0.38
TSHR P16473 1/20 0.36
CYP2D6 P10635 2/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
CACNA1B Q00975 2/20 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
SCHEMBL11095875 0.97 OPRM1 (0.49) OPRM1OPRL1GRIN1GRIN2AGRIN2B
SCHEMBL11081467 0.88 OPRM1 (0.50) OPRM1OPRL1ALOX5KMT2ASLC6A2
SCHEMBL11093745 0.88 ALOX5 (0.44) OPRM1OPRL1GRIN1GRIN2AGRIN2B
SCHEMBL11069457 0.87 OPRM1 (0.50) OPRM1OPRL1ALOX5KMT2A
SCHEMBL11096411 0.87 GRIN1 (0.50) OPRM1OPRL1GRIN1GRIN2AGRIN2B
Ethylene SCHEMBL11550591 0.85 OPRM1 (0.48) OPRM1OPRL1ALOX5KMT2A
SCHEMBL11075750 0.84 OPRM1 (0.46) OPRM1OPRL1ALOX5KMT2A
SCHEMBL11558458 0.84 OPRM1 (0.45) OPRM1OPRL1ALOX5THRATHRB
Hydrochloric Acid SCHEMBL11099770 0.84 OPRM1 (0.45) OPRM1OPRL1ALOX5KMT2A
SCHEMBL11095874 0.83 OPRM1 (0.44) OPRM1OPRL1ALOX5THRATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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