SCHEMBL11070165

SCHEMBL11070165

CCCCN(CCCC)C1(c2ccc(Cl)cc2)CCC(N2CCN(C)CC2)C(C)C1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.34
KMT2A Q03164 1/20 0.34
SLC18A3 Q16572 1/20 0.32
SLC6A3 Q01959 2/20 0.32
DRD2 P14416 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
PTBP1 P26599 1/20 0.31
LSS P48449 1/20 0.31
OPRL1 P41146 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
SCHEMBL11077826 0.94 OPRM1 (0.36) OPRM1KMT2ASLC18A3SLC6A3DRD2
SCHEMBL11070118 0.89 OPRM1 (0.37) OPRM1KMT2ASLC18A3SLC6A3DRD2
SCHEMBL11078267 0.89 SLC18A3 (0.32) SLC18A3ALDH1A1LMNAPTBP1
SCHEMBL11080087 0.86 OPRM1 (0.31) OPRM1KMT2A
SCHEMBL11066404 0.86 OPRL1 (0.39) OPRM1KMT2ASLC6A3DRD2ALDH1A1
SCHEMBL11067453 0.84 SLC6A3 (0.32) SLC6A3
SCHEMBL11075424 0.82 SLC18A3 (0.33) OPRM1SLC18A3OPRL1
SCHEMBL11071202 0.81 OPRM1 (0.32) OPRM1LSS
SCHEMBL11078350 0.81 OPRM1 (0.37) OPRM1KMT2ASLC18A3SLC6A3DRD2
SCHEMBL11073972 0.79 OPRL1 (0.40) OPRM1KMT2ASLC6A3DRD2LSS

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