SCHEMBL11079938

SCHEMBL11079938

CCOc1ccc(C2(N(C)C)CCC(N(C)CCc3ccccc3)CC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 15/20 0.46
OPRM1 P35372 15/20 0.46
GRIN2B Q13224 1/20 0.43
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
LTB4R Q15722 1/20 0.40
LTB4R2 Q9NPC1 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
SCHEMBL11078301 0.88 OPRL1 (0.58) OPRL1OPRM1GRIN2B
SCHEMBL11065445 0.83 OPRM1 (0.58) OPRL1OPRM1GRIN2BOPRD1OPRK1
SCHEMBL11076438 0.82 SLC6A4 (0.43) OPRL1OPRM1OPRK1
SCHEMBL11070020 0.79 OPRM1 (0.49) OPRL1OPRM1GRIN2BLTB4RLTB4R2
SCHEMBL11066830 0.77 OPRL1 (0.46) OPRL1OPRM1GRIN2B
SCHEMBL11073826 0.77 GRIN2B (0.43) OPRL1OPRM1GRIN2B
SCHEMBL11077368 0.76 GRIN2B (0.42) OPRL1OPRM1GRIN2BOPRD1OPRK1
SCHEMBL11080641 0.76 POLB (0.41) OPRL1OPRM1GRIN2B
SCHEMBL11073158 0.75 OPRM1 (0.50) OPRL1OPRM1GRIN2BOPRD1OPRK1
SCHEMBL11076128 0.75 CHIA (0.44) OPRL1OPRM1GRIN2BOPRD1OPRK1

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