SCHEMBL11073228

SCHEMBL11073228

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

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 5/20 0.46
▸ KDM4E B2RXH2 1/20 0.41
▸ PIK3CA P42336 1/20 0.38
▸ KMT2A Q03164 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ OPRM1 P35372 1/20 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
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ TACR1 P25103 1/20 0.35
▸ ACHE P22303 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ FAAH O00519 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
SCHEMBL11075824 0.94 OPRL1 (0.47) OPRL1KDM4EPIK3CAKMT2ASMN1; SMN2
SCHEMBL11076744 0.91 OPRL1 (0.47) OPRL1KDM4EKMT2AMEN1MAPK1
SCHEMBL11073243 0.86 OPRL1 (0.51) OPRL1KDM4ESMN1; SMN2MAPK1OPRM1
SCHEMBL11075826 0.85 OPRL1 (0.50) OPRL1KDM4ESMN1; SMN2MAPK1OPRM1
SCHEMBL11066160 0.82 OPRL1 (0.54) OPRL1OPRM1TACR1
SCHEMBL11073728 0.82 OPRL1 (0.52) OPRL1KMT2AMEN1OPRM1ALDH1A1
SCHEMBL11095874 0.80 OPRM1 (0.44) OPRL1KDM4EKMT2ASMN1; SMN2MEN1
SCHEMBL11076093 0.74 OPRL1 (0.50) OPRL1OPRM1ACHE
SCHEMBL11069247 0.73 OPRL1 (0.69) OPRL1KMT2AMEN1MAPK1OPRM1
SCHEMBL11558458 0.73 OPRM1 (0.45) OPRL1KMT2ASMN1; SMN2MEN1MAPK1

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
Send feedback