SCHEMBL11071467

SCHEMBL11071467

CCCCc1ccc(C2(N(C)C)CCC(NC(C)C)CC2)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SKP2 Q13309 1/20 0.38
OPRM1 P35372 6/20 0.37
OPRL1 P41146 6/20 0.37
BACE1 P56817 3/20 0.35
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C9 P11712 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
CYP4Z1 Q86W10 1/20 0.34
CYP4F11 Q9HBI6 1/20 0.34
CYP4F12 Q9HCS2 1/20 0.34
ALDH1A1 P00352 1/20 0.31
MAPT P10636 1/20 0.31
LMNA P02545 1/20 0.31
SPHK1 Q9NYA1 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
SCHEMBL11071470 0.80 SKP2 (0.40) SKP2OPRM1OPRL1BACE1CYP3A4
SCHEMBL11071916 0.76 OPRM1 (0.38) OPRM1OPRL1BACE1CYP2D6
SCHEMBL11074417 0.76 SKP2 (0.43) SKP2BACE1CYP3A4CYP2D6CYP2C9
SCHEMBL11066524 0.76 MLNR (0.37) SKP2OPRL1BACE1CYP3A4CYP2D6
SCHEMBL11066576 0.75 OPRL1 (0.36) SKP2OPRL1BACE1CYP3A4CYP2D6
SCHEMBL11074078 0.75 GRIN2B (0.40) SKP2OPRM1OPRL1
SCHEMBL11070718 0.74 SKP2 (0.35) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL11076092 0.74 HTR1D (0.38) SKP2CYP3A4CYP2D6CYP2C9CYP1A2
SCHEMBL11069269 0.72 SKP2 (0.34) SKP2OPRM1OPRL1BACE1
SCHEMBL11071472 0.66 SKP2 (0.36) SKP2CYP3A4CYP2D6CYP2C9CYP1A2

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