SCHEMBL11075824

SCHEMBL11075824

CCCCN(C)C1(c2cccc(OC(=O)CC)c2)CCC(N2CCOCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 5/20 0.47
▸ KDM4E B2RXH2 1/20 0.42
▸ OPRM1 P35372 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ PIK3CA P42336 1/20 0.36
▸ ACHE P22303 3/20 0.35
▸ TACR1 P25103 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ FAAH O00519 1/20 0.34

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
SCHEMBL11073228 0.94 OPRL1 (0.46) OPRL1KDM4EOPRM1KMT2AMEN1
SCHEMBL11076744 0.92 OPRL1 (0.47) OPRL1KDM4EOPRM1KMT2AMEN1
SCHEMBL11073243 0.86 OPRL1 (0.51) OPRL1KDM4EOPRM1MAPK1TACR1
SCHEMBL11075826 0.85 OPRL1 (0.50) OPRL1KDM4EOPRM1MAPK1MAPT
SCHEMBL11066160 0.83 OPRL1 (0.54) OPRL1OPRM1TACR1
SCHEMBL11073728 0.82 OPRL1 (0.52) OPRL1OPRM1KMT2AMEN1TACR1
SCHEMBL11558458 0.79 OPRM1 (0.45) OPRL1OPRM1KMT2AMEN1MAPK1
SCHEMBL11076093 0.74 OPRL1 (0.50) OPRL1OPRM1ACHE
SCHEMBL11069247 0.74 OPRL1 (0.69) OPRL1OPRM1KMT2AMEN1MAPK1
SCHEMBL11095874 0.73 OPRM1 (0.44) OPRL1KDM4EOPRM1KMT2AMEN1

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-4447454-A Analgetic compounds, compositions and process of treatment THE UPJOHN COMPANY (US) 1984-05-08 — — US disclosed
US-4113866-A ANALGETIC COMPOUNDS, COMPOSITIONS AND PROCESS OF TREATMENT THE UPJOHN COMPANY (US) 1978-09-12 — — US disclosed
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