SCHEMBL11069896

SCHEMBL11069896

CCCN(c1cc(C)cc(C)c1)C1CCC(c2cccc(OCc3ccccc3)c2)(N(C)C)CC1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.43
OPRL1 P41146 4/20 0.43
BCHE P06276 5/20 0.41
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ADAM17 P78536 2/20 0.37
TSPO P30536 2/20 0.37
MAOB P27338 2/20 0.36
KDM1A O60341 1/20 0.36

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
SCHEMBL11077880 0.82 OPRM1 (0.39) OPRM1OPRL1MEN1KMT2A
SCHEMBL11075825 0.81 OPRM1 (0.51) OPRM1OPRL1BCHEMEN1KMT2A
SCHEMBL11076041 0.79 BCHE (0.44) OPRM1OPRL1BCHEMEN1KMT2A
SCHEMBL11070020 0.79 OPRM1 (0.49) OPRM1OPRL1BCHEADAM17MAOB
SCHEMBL11072243 0.78 OPRL1 (0.33) OPRM1OPRL1MEN1KMT2A
SCHEMBL11073199 0.77 OPRM1 (0.45) OPRM1OPRL1TSPO
SCHEMBL11066081 0.76 OPRM1 (0.37) OPRM1OPRL1MEN1KMT2A
SCHEMBL11077371 0.75 OPRM1 (0.37) OPRM1MEN1KMT2A
SCHEMBL11075816 0.74 HTR2A (0.31) OPRM1OPRL1
SCHEMBL11077431 0.74 OPRM1 (0.36) OPRM1OPRL1

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