SCHEMBL11070591

SCHEMBL11070591

CCCCN(CCCC)C1(c2ccc(Cl)cc2)CCC(N(C)CCc2ccccc2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 7/20 0.41
OPRL1 P41146 7/20 0.41
GRIN2B Q13224 4/20 0.41
CHIA Q9BZP6 3/20 0.39
CHIT1 Q13231 2/20 0.39
CHI3L1 P36222 1/20 0.39
CHI3L2 Q15782 1/20 0.39
KMT2A Q03164 1/20 0.37
SLC18A3 Q16572 1/20 0.37
C5AR1 P21730 1/20 0.37

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
SCHEMBL11077368 0.93 GRIN2B (0.42) OPRM1OPRL1GRIN2BCHIACHIT1
SCHEMBL11073826 0.90 GRIN2B (0.43) OPRM1OPRL1GRIN2BCHIACHIT1
SCHEMBL11073256 0.87 OPRM1 (0.39) OPRM1OPRL1KMT2ASLC18A3
SCHEMBL11079193 0.86 GRIN2B (0.37) OPRM1OPRL1GRIN2BCHIACHIT1
SCHEMBL11070525 0.85 SLC6A4 (0.45) OPRM1OPRL1
SCHEMBL11076128 0.84 CHIA (0.44) OPRM1OPRL1GRIN2BCHIACHIT1
SCHEMBL11073938 0.82 GRIN2B (0.37) OPRM1OPRL1GRIN2BCHIACHIT1
SCHEMBL11073887 0.80 SLC18A3 (0.40) OPRM1OPRL1SLC18A3
SCHEMBL11078328 0.78 SLC6A4 (0.47) OPRM1OPRL1CHIACHIT1CHI3L1
SCHEMBL11075013 0.77 OPRM1 (0.42) OPRM1OPRL1SLC18A3

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