SCHEMBL9005151

SCHEMBL9005151

COc1cccc(N(C)c2ccc(-c3ccc(N(C)c4cccc(OC)c4)cc3)cc2)c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.61
MTNR1B P49286 7/20 0.61
HSD17B2 P37059 7/20 0.49
HSD17B1 P14061 6/20 0.49
KDM4C Q9H3R0 1/20 0.44
ACHE P22303 1/20 0.44
CYP11B1 P15538 1/20 0.43
CYP11B2 P19099 1/20 0.43
MAOB P27338 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA9 Q16790 1/20 0.42

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
SCHEMBL12048278 0.92 MTNR1A (0.55) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL12048354 0.91 MTNR1A (0.53) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL12047851 0.91 MTNR1A (0.53) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL12048630 0.91 MTNR1A (0.53) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL12048140 0.91 MTNR1A (0.53) MTNR1AMTNR1BHSD17B2HSD17B1
SCHEMBL1134082 0.90 MTNR1A (0.61) MTNR1AMTNR1BHSD17B2HSD17B1ACHE
SCHEMBL30054343 0.90 MTNR1A (0.61) MTNR1AMTNR1BHSD17B2HSD17B1ACHE
SCHEMBL1134087 0.89 MTNR1A (0.60) MTNR1AMTNR1BHSD17B2HSD17B1ACHE
SCHEMBL13241205 0.88 HSD17B2 (0.51) MTNR1AMTNR1BHSD17B2HSD17B1CYP11B1
SCHEMBL10042852 0.88 MTNR1A (0.52) MTNR1AMTNR1BHSD17B2HSD17B1KDM4C

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-0736811-A2 Electrophotographic imaging member and process including a charge transport layer with high charge carrier mobility XEROX CORPORATION (US) 1996-10-09 EP claimed