SCHEMBL11558458

SCHEMBL11558458

CCCCN(C)C1(c2cccc(OC(=O)CC)c2)CCC(=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.45
OPRL1 P41146 3/20 0.45
ACHE P22303 3/20 0.40
KMT2A Q03164 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 2/20 0.36
THRB P10828 2/20 0.36
MAPT P10636 1/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
THRA P10827 1/20 0.34
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR1B P28222 1/20 0.34
ALOX5 P09917 1/20 0.34
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL11095874 0.93 OPRM1 (0.44) OPRM1OPRL1KMT2ASMN1; SMN2MEN1
SCHEMBL11075750 0.90 OPRM1 (0.46) OPRM1OPRL1ACHEKMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL11099770 0.89 OPRM1 (0.45) OPRM1OPRL1ACHEKMT2ASMN1; SMN2
SCHEMBL11093742 0.88 ACHE (0.46) OPRM1OPRL1ACHEKMT2ASMN1; SMN2
SCHEMBL11097716 0.87 OPRM1 (0.43) OPRM1OPRL1ACHESMN1; SMN2THRB
SCHEMBL11081467 0.85 OPRM1 (0.50) OPRM1OPRL1KMT2AMEN1ALOX5
SCHEMBL11095875 0.84 OPRM1 (0.49) OPRM1OPRL1THRBTHRAALOX5
SCHEMBL11077394 0.84 OPRM1 (0.45) OPRM1OPRL1KMT2ASMN1; SMN2MEN1
SCHEMBL11558462 0.84 OPRM1 (0.48) OPRM1OPRL1KMT2ATHRBTHRA
SCHEMBL11088920 0.84 CYP3A4 (0.39) OPRM1OPRL1ACHEKMT2AALDH1A1

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