SCHEMBL13604602

SCHEMBL13604602

CCC(C)c1ccc(Oc2ccc3c(c2)CCCC3)nc1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 8/20 0.46
OPRD1 P41143 8/20 0.46
OPRK1 P41145 7/20 0.46
HRH3 Q9Y5N1 11/20 0.44
JAK2 O60674 1/20 0.41
JAK1 P23458 1/20 0.41
JAK3 P52333 1/20 0.41
HRH1 P35367 1/20 0.39

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
SCHEMBL14997973 0.87 HRH3 (0.47) OPRM1OPRD1OPRK1HRH3JAK2
SCHEMBL12653312 0.80 OPRM1 (0.46) OPRM1OPRD1OPRK1HRH3HRH1
SCHEMBL21541214 0.79 ACACB (0.42)
SCHEMBL24023602 0.78 ALDH1A1 (0.44)
SCHEMBL778932 0.77 NPC1 (0.49) OPRM1OPRD1HRH3HRH1
SCHEMBL13604922 0.77 ALDH1A1 (0.42)
SCHEMBL12808386 0.76 MEN1 (0.53) HRH3
SCHEMBL13913007 0.76 ACACB (0.44) HRH3
SCHEMBL328389 0.74 HRH3 (0.46) HRH3HRH1
SCHEMBL14380137 0.74 ALDH1A1 (0.57) OPRM1OPRD1OPRK1HRH3HRH1

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
US-7629341-B2 e.g. N1-hydroxy-N2-[(4-phenoxyphenyl)sulfonyl]-D-argininamide; metallopeptidase inhibitor; antiinflammation, anticarcinogenic, antidiabetic agent; angiogenesis inhibitor; atherosclerosis, stroke, ulcer, infertility, scleroderma, endometriosis, mesothelioma SYMPHONY EVOLUTION, INC. (US) 2009-12-08 US disclosed