SCHEMBL11077899

SCHEMBL11077899

Cc1ccccc1C1(N(C)C)CCC(NC(C)C)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.40
OPRM1 P35372 9/20 0.40
GAA P10253 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HDAC4 P56524 1/20 0.37
IRAK4 Q9NWZ3 1/20 0.33
OPRK1 P41145 1/20 0.33
HPGD P15428 1/20 0.32

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
SCHEMBL11071467 0.75 SKP2 (0.38) OPRL1OPRM1
Ethylbenzene SCHEMBL11069651 0.74 OPRL1 (0.47) OPRL1OPRM1OPRK1
SCHEMBL11078781 0.72 OPRL1 (0.43) OPRL1OPRM1OPRK1
SCHEMBL11077902 0.72 SLC6A4 (0.39) OPRL1OPRM1OPRK1
SCHEMBL11071916 0.70 OPRM1 (0.38) OPRL1OPRM1L3MBTL1IRAK4
SCHEMBL11070312 0.70 OPRM1 (0.44) OPRL1OPRM1OPRK1
SCHEMBL11070140 0.70 OPRL1 (0.55) OPRL1OPRM1L3MBTL1
SCHEMBL11073735 0.69 OPRL1 (0.38) OPRL1OPRM1OPRK1
SCHEMBL11070178 0.69 OPRL1 (0.51) OPRL1OPRM1OPRK1
SCHEMBL11096498 0.68 MEN1 (0.40) OPRL1OPRM1GAAHDAC4OPRK1

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