SCHEMBL11070189

SCHEMBL11070189

CCCC1CCN(C2CCC(c3cccc(OCc4ccccc4)c3)(N(C)C)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.43
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
OPRM1 P35372 3/20 0.43
OPRK1 P41145 1/20 0.41
HRH3 Q9Y5N1 3/20 0.40
KDM2B Q8NHM5 1/20 0.39
CYP2D6 P10635 2/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ADAM17 P78536 1/20 0.38

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
SCHEMBL11073241 0.89 OPRL1 (0.49) OPRL1GRIN1GRIN2BOPRM1OPRK1
SCHEMBL11078406 0.82 OPRL1 (0.51) OPRL1GRIN1GRIN2BOPRM1OPRK1
SCHEMBL11074165 0.82 OPRL1 (0.44) OPRL1OPRM1OPRK1
SCHEMBL11079394 0.80 OPRM1 (0.42) OPRL1OPRM1OPRK1
SCHEMBL11072181 0.77 OPRL1 (0.43) OPRL1OPRM1OPRK1KDM2BKMT2A
SCHEMBL11079377 0.76 OPRL1 (0.45) OPRL1OPRM1KDM2B
SCHEMBL11075825 0.76 OPRM1 (0.51) OPRL1OPRM1MEN1KMT2AADAM17
SCHEMBL11070497 0.76 OPRM1 (0.40) OPRL1OPRM1OPRK1
SCHEMBL11073728 0.76 OPRL1 (0.52) OPRL1GRIN1GRIN2BOPRM1HRH3
SCHEMBL11073542 0.75 OPRM1 (0.42) OPRL1OPRM1OPRK1

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