SCHEMBL3357684

SCHEMBL3357684

[Li]C1(c2ccccc2)C=CC=CC1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HDAC4 P56524 1/20 0.36
HDAC9 Q9UKV0 1/20 0.31
OPRM1 P35372 1/20 0.30
OPRK1 P41145 1/20 0.30
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
SCHEMBL2283117 0.74 HDAC4 (0.34) HDAC4OPRM1OPRK1OPRL1
SCHEMBL27449113 0.72 HDAC4 (0.33) HDAC4OPRM1OPRK1OPRL1
SCHEMBL8039521 0.72 PNMT (0.39) OPRM1
SCHEMBL4089733 0.71 HDAC4 (0.36) HDAC4HDAC9OPRM1OPRK1OPRL1
SCHEMBL276639 0.71 HDAC4 (0.32) HDAC4OPRM1OPRK1OPRL1
SCHEMBL5665863 0.71 HDAC4 (0.32) HDAC4OPRM1OPRK1OPRL1
SCHEMBL5715764 0.71 MAOB (0.38) HDAC4HDAC9OPRM1OPRK1OPRL1
SCHEMBL16163009 0.71 HDAC4 (0.32) HDAC4OPRM1OPRK1OPRL1
SCHEMBL9629458 0.71 HDAC4 (0.36) HDAC4HDAC9OPRM1OPRK1OPRL1
SCHEMBL8106039 0.71 HDAC4 (0.32) HDAC4OPRM1OPRK1OPRL1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2161272-A1 Phenanthrolines BASF SE (DE) 2010-03-10 EP disclosed