SCHEMBL11071202

SCHEMBL11071202

C=CCN(CC1CC1)C1(c2ccc(Cl)cc2)CCC(N2CCN(C)CC2)C(C)C1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.32
KCNN4 O15554 1/20 0.31
LSS P48449 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
SCHEMBL11066836 0.90 KCNN4 (0.31) KCNN4
SCHEMBL11068775 0.87 OPRL1 (0.36) OPRM1KCNN4LSS
SCHEMBL11066676 0.85
SCHEMBL11070118 0.83 OPRM1 (0.37) OPRM1LSS
SCHEMBL11070165 0.81 OPRM1 (0.34) OPRM1LSS
SCHEMBL11077826 0.81 OPRM1 (0.36) OPRM1LSS
SCHEMBL11080087 0.79 OPRM1 (0.31) OPRM1
SCHEMBL11073838 0.78 KCNN4 (0.32) KCNN4
SCHEMBL11073833 0.77 KCNN4 (0.32) KCNN4
SCHEMBL11078350 0.77 OPRM1 (0.37) OPRM1LSS

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