SCHEMBL11099343

SCHEMBL11099343

CC(=O)Oc1cccc(C2(N(C)CCc3ccccc3)CCC(=O)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.40
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
OPRM1 P35372 8/20 0.38
OPRL1 P41146 8/20 0.38
ALOX5 P09917 1/20 0.37
PARP1 P09874 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.36
LMNA P02545 1/20 0.36
NPY5R Q15761 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL11088920 0.87 CYP3A4 (0.39) ACHEOPRM1OPRL1ALOX5CYP3A4
SCHEMBL11075750 0.85 OPRM1 (0.46) ACHEOPRM1OPRL1ALOX5SMN1; SMN2
SCHEMBL11097716 0.84 OPRM1 (0.43) ACHEOPRM1OPRL1SMN1; SMN2CYP3A4
Hydrochloric Acid SCHEMBL11099770 0.84 OPRM1 (0.45) ACHEOPRM1OPRL1ALOX5SMN1; SMN2
SCHEMBL11070774 0.83 CYP3A4 (0.45) ACHEOPRM1OPRL1ALOX5CYP3A4
SCHEMBL11095163 0.82 OPRK1 (0.45) OPRM1OPRL1
SCHEMBL11092425 0.82 CYP3A4 (0.38) ACHEOPRM1OPRL1ALOX5CYP3A4
SCHEMBL11099341 0.78 ACHE (0.39) ACHEOPRM1OPRL1CYP3A4LMNA
SCHEMBL11093289 0.77 ALDH1A1 (0.41) ACHEOPRM1SMN1; SMN2CYP3A4LMNA
SCHEMBL11077394 0.77 OPRM1 (0.45) OPRM1OPRL1SMN1; SMN2CYP3A4LMNA

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