SCHEMBL11076835

SCHEMBL11076835

COc1cc(C2(N(C)C)CCC(N3CCN(C)CC3)CC2)ccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 4/20 0.44
L3MBTL1 Q9Y468 1/20 0.43
ACVR1 Q04771 1/20 0.38
INSR P06213 3/20 0.36
IGF1R P08069 3/20 0.36
ALK Q9UM73 3/20 0.36
MAPT P10636 1/20 0.36
ABCB1 P08183 1/20 0.36
OPRM1 P35372 1/20 0.36
RAB9A P51151 1/20 0.36
DUSP3 P51452 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN11 Q06124 1/20 0.36
HTR2A P28223 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 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
SCHEMBL11078536 0.85 OPRL1 (0.42) OPRL1L3MBTL1MAPTSLC6A4SLC6A3
SCHEMBL11070850 0.80 OPRL1 (0.53) OPRL1L3MBTL1OPRM1HTR2ASLC6A2
SCHEMBL11071725 0.80 OPRL1 (0.37) OPRL1OPRM1SLC6A4SLC6A3
SCHEMBL11066053 0.77 OPRL1 (0.49) OPRL1OPRM1KMT2ASLC6A2SLC6A4
SCHEMBL11078293 0.75 OPRL1 (0.56) OPRL1L3MBTL1OPRM1RAB9ADUSP3
SCHEMBL11071655 0.75 SLC6A4 (0.53) OPRL1L3MBTL1MAPTOPRM1KMT2A
SCHEMBL11071653 0.74 MAPK1 (0.40) OPRL1L3MBTL1OPRM1KMT2ASLC6A2
SCHEMBL11077290 0.73 OPRD1 (0.55) OPRL1OPRM1
SCHEMBL11073750 0.72 OPRL1 (0.50) OPRL1ACVR1OPRM1DUSP3KMT2A
SCHEMBL11066279 0.72 SLC6A4 (0.41) OPRL1L3MBTL1MAPTOPRM1SLC6A4

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