SCHEMBL13689399

SCHEMBL13689399

CN(CC(c1ccccc1)c1ccccc1)C(=O)[C@H](CCCN)NCCNC(=O)/C=C/c1ccc(N)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.43
▸ PKM P14618 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KMT2A Q03164 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ EGFR P00533 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ ESR1 P03372 6/20 0.37
▸ ESR2 Q92731 6/20 0.37
▸ ADORA3 P0DMS8 1/20 0.37
▸ MMP1 P03956 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ MMP2 P08253 1/20 0.36
▸ MMP9 P14780 1/20 0.36
▸ RECQL P46063 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
SCHEMBL13689519 0.93 LMNA (0.48) LMNAPKMHTTKMT2AALDH1A1
SCHEMBL13691674 0.90 DRD2 (0.41) LMNAPKMHTTKMT2AALDH1A1
SCHEMBL13689400 0.89 HDAC3 (0.44) LMNAPKMHTTKMT2AALDH1A1
SCHEMBL13190967 0.86 MAPT (0.47) LMNAPKMHTTKMT2AALDH1A1
SCHEMBL13689395 0.83 HDAC3 (0.35) LMNAPKMHTTKMT2AALDH1A1
SCHEMBL13689531 0.80 DRD3 (0.52) KMT2ASMN1; SMN2
SCHEMBL13689517 0.80 GAA (0.38) LMNAKMT2AALDH1A1SMN1; SMN2MEN1
SCHEMBL13691792 0.79 DRD2 (0.52) KMT2ASMN1; SMN2MEN1
SCHEMBL13190970 0.79 DRD2 (0.51) SMN1; SMN2
SCHEMBL13188820 0.78 DRD2 (0.41) LMNAPKMHTTKMT2AALDH1A1

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
WO-2009105824-A1 METHODS OF MODULATING THE ACTIVITY OF THE MC5 RECEPTOR AND TREATMENT OF CONDITIONS RELATED TO THIS RECEPTOR MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
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