SCHEMBL11070140

SCHEMBL11070140

COc1ccc(C2(N(C)C)CCC(NC(C)C)CC2)cc1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 11/20 0.55
OPRM1 P35372 10/20 0.55
SLC6A4 P31645 5/20 0.43
SLC6A3 Q01959 4/20 0.43
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPY1R P25929 1/20 0.40
MAOB P27338 2/20 0.40
MAOA P21397 1/20 0.40

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
SCHEMBL11076435 0.85 OPRM1 (0.42) OPRL1OPRM1SLC6A4SLC6A3
SCHEMBL4348575 0.84 OPRL1 (0.59) OPRL1OPRM1SLC6A4SLC6A3ATM
SCHEMBL11078781 0.82 OPRL1 (0.43) OPRL1OPRM1
SCHEMBL11071653 0.79 MAPK1 (0.40) OPRL1OPRM1SLC6A4SLC6A3L3MBTL1
SCHEMBL11073735 0.74 OPRL1 (0.38) OPRL1OPRM1SLC6A4SLC6A3
Ethylbenzene SCHEMBL11078303 0.73 OPRM1 (0.57) OPRL1OPRM1
SCHEMBL11070143 0.72 OPRL1 (0.56) OPRL1OPRM1SLC6A4SLC6A3MAOB
SCHEMBL11076076 0.72 MDM2 (0.42) OPRL1OPRM1SLC6A4SLC6A3
SCHEMBL11070312 0.72 OPRM1 (0.44) OPRL1OPRM1SLC6A4
SCHEMBL3407329 0.72 OPRM1 (1.00) OPRL1OPRM1

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