SCHEMBL11066830

SCHEMBL11066830

CN(CCc1ccccc1)C1CCC(c2cc(Cl)cc(Cl)c2)(N(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 12/20 0.46
OPRM1 P35372 11/20 0.46
GRIN2B Q13224 2/20 0.45
SLC18A3 Q16572 1/20 0.41
CHIA Q9BZP6 2/20 0.41
CHI3L1 P36222 1/20 0.41
CHIT1 Q13231 1/20 0.41
CHI3L2 Q15782 1/20 0.41
NOS3 P29474 1/20 0.40
NOS1 P29475 1/20 0.40
NOS2 P35228 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
SCHEMBL11065445 0.81 OPRM1 (0.58) OPRL1OPRM1GRIN2BSLC18A3CHIA
SCHEMBL11080641 0.81 POLB (0.41) OPRL1OPRM1GRIN2BSLC18A3
SCHEMBL11073158 0.81 OPRM1 (0.50) OPRL1OPRM1GRIN2B
SCHEMBL11076128 0.81 CHIA (0.44) OPRL1OPRM1GRIN2BSLC18A3CHIA
SCHEMBL11073826 0.80 GRIN2B (0.43) OPRL1OPRM1GRIN2BSLC18A3CHIA
SCHEMBL11078301 0.79 OPRL1 (0.58) OPRL1OPRM1GRIN2B
SCHEMBL11077368 0.79 GRIN2B (0.42) OPRL1OPRM1GRIN2BSLC18A3CHIA
SCHEMBL11073738 0.78 SLC6A3 (0.49) OPRL1OPRM1NOS3NOS1NOS2
SCHEMBL11079938 0.77 OPRL1 (0.46) OPRL1OPRM1GRIN2B
SCHEMBL11069648 0.77 GRIN2B (0.47) OPRL1OPRM1GRIN2BSLC18A3CHIA

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