SCHEMBL11069269

SCHEMBL11069269

CCCCc1ccc(C2(N(C)C)CCC(N3CCC(CCC)C3)CC2)c(C)c1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.33
OPRL1 P41146 5/20 0.32
MLNR O43193 1/20 0.32
HRH3 Q9Y5N1 1/20 0.31
BACE1 P56817 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30

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
SCHEMBL11066576 0.89 OPRL1 (0.36) SKP2IRAK4OPRL1MLNRBACE1
SCHEMBL11066524 0.83 MLNR (0.37) SKP2IRAK4OPRL1MLNRBACE1
SCHEMBL11078319 0.82 OPRL1 (0.41) OPRL1OPRM1OPRK1
SCHEMBL11073165 0.81 OPRL1 (0.34) OPRL1OPRM1OPRK1
SCHEMBL11071470 0.75 SKP2 (0.40) SKP2OPRL1BACE1OPRM1
SCHEMBL11069281 0.73 OPRL1 (0.46) OPRL1OPRM1OPRK1
SCHEMBL11071467 0.72 SKP2 (0.38) SKP2OPRL1BACE1OPRM1
SCHEMBL11069606 0.72 OPRL1 (0.40) OPRL1OPRM1OPRK1
SCHEMBL11074417 0.71 SKP2 (0.43) SKP2MLNRBACE1
SCHEMBL11074165 0.71 OPRL1 (0.44) OPRL1OPRM1OPRK1

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