SCHEMBL11099341

SCHEMBL11099341

CC(=O)Oc1cccc(C2(N(C)C(C)c3ccccc3)CCC(=O)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 11/20 0.39
BCHE P06276 10/20 0.39
OPRM1 P35372 2/20 0.38
OPRL1 P41146 2/20 0.38
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.36
FAAH O00519 1/20 0.36
ALDH1A1 P00352 1/20 0.36
OPRD1 P41143 1/20 0.35
OPRK1 P41145 1/20 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
SCHEMBL11070774 0.84 CYP3A4 (0.45) ACHEOPRM1OPRL1CYP3A4LMNA
SCHEMBL11556186 0.82 OPRM1 (0.40) OPRM1OPRL1ALDH1A1OPRD1OPRK1
SCHEMBL11092425 0.81 CYP3A4 (0.38) ACHEBCHEOPRM1OPRL1CYP3A4
Ethylene SCHEMBL11554547 0.80 OPRM1 (0.38) OPRM1OPRL1ALDH1A1OPRD1OPRK1
SCHEMBL11099343 0.78 ACHE (0.40) ACHEOPRM1OPRL1CYP3A4LMNA
SCHEMBL11093289 0.78 ALDH1A1 (0.41) ACHEOPRM1CYP3A4LMNAALDH1A1
SCHEMBL11088920 0.77 CYP3A4 (0.39) ACHEOPRM1OPRL1CYP3A4LMNA
SCHEMBL11075750 0.75 OPRM1 (0.46) ACHEOPRM1OPRL1CYP3A4LMNA
SCHEMBL11097716 0.74 OPRM1 (0.43) ACHEOPRM1OPRL1CYP3A4LMNA
Hydrochloric Acid SCHEMBL11099770 0.74 OPRM1 (0.45) ACHEOPRM1OPRL1CYP3A4LMNA

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 3 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 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