SCHEMBL11073256

SCHEMBL11073256

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

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 10/20 0.39
OPRL1 P41146 9/20 0.39
SLC18A3 Q16572 2/20 0.38
OPRK1 P41145 1/20 0.38
SIGMAR1 Q99720 1/20 0.36
KCNH2 Q12809 2/20 0.35
CCR3 P51677 1/20 0.35
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL11073887 0.94 SLC18A3 (0.40) OPRM1OPRL1SLC18A3OPRK1SIGMAR1
SCHEMBL11069131 0.91 SLC18A3 (0.40) OPRM1OPRL1SLC18A3OPRK1SIGMAR1
SCHEMBL11069431 0.87 OPRM1 (0.36) OPRM1OPRL1SLC18A3OPRK1SIGMAR1
SCHEMBL11070591 0.87 OPRM1 (0.41) OPRM1OPRL1SLC18A3KMT2A
SCHEMBL11065844 0.87 OPRM1 (0.34) OPRM1OPRL1OPRK1KCNH2ALDH1A1
SCHEMBL11070322 0.85 SLC18A3 (0.40) OPRM1OPRL1SLC18A3OPRK1SIGMAR1
SCHEMBL11073656 0.83 SLC18A3 (0.35) OPRM1OPRL1SLC18A3OPRK1SIGMAR1
SCHEMBL11075013 0.81 OPRM1 (0.42) OPRM1OPRL1SLC18A3OPRK1SIGMAR1
SCHEMBL11077368 0.80 GRIN2B (0.42) OPRM1OPRL1SLC18A3OPRK1SIGMAR1
SCHEMBL11070288 0.80 SLC6A4 (0.33) OPRK1KCNH2ALDH1A1TSHR

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