SCHEMBL11069247

SCHEMBL11069247

COc1cccc(C2(N(C)C)CCC(N3CCOCC3)CC2)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 6/20 0.69
▸ MEN1 O00255 1/20 0.45
▸ NPC1 O15118 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ SLC6A4 P31645 5/20 0.43
▸ OPRM1 P35372 5/20 0.43
▸ SLC6A2 P23975 4/20 0.43
▸ KDM1A O60341 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.41
▸ SIGMAR1 Q99720 2/20 0.41
▸ SLC22A1 O15245 2/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ CHRM2 P08172 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ OPRD1 P41143 1/20 0.41
▸ OPRK1 P41145 1/20 0.41

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
SCHEMBL11078596 0.83 OPRL1 (0.72) OPRL1SLC6A4OPRM1SLC6A2OPRD1
SCHEMBL5469627 0.81 KMT2A (0.61) OPRL1MEN1NPC1GAAMAPT
SCHEMBL5469632 0.81 KMT2A (0.61) OPRL1MEN1NPC1GAAMAPT
Hydrochloric Acid SCHEMBL11075754 0.81 OPRL1 (1.00) OPRL1OPRM1KDM1AOPRK1
SCHEMBL11073243 0.77 OPRL1 (0.51) OPRL1MAPK1SLC6A4OPRM1SLC6A2
SCHEMBL20888167 0.77 SLC6A4 (0.50) OPRL1MEN1KMT2ASLC6A4OPRM1
SCHEMBL11075826 0.76 OPRL1 (0.50) OPRL1MAPTMAPK1SLC6A4OPRM1
SCHEMBL11069061 0.75 OPRL1 (0.75) OPRL1MAPTKMT2AALDH1A1
SCHEMBL11076744 0.74 OPRL1 (0.47) OPRL1MEN1NPC1GAAMAPT
SCHEMBL11075824 0.74 OPRL1 (0.47) OPRL1MEN1NPC1GAAMAPT

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