SCHEMBL13689519

SCHEMBL13689519

Cc1ccc(/C=C/C(=O)NCCN[C@@H](CCCN)C(=O)N(C)CC(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.48
▸ UTS2R Q9UKP6 1/20 0.42
▸ PKM P14618 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ EGFR P00533 1/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ ALDH1A1 P00352 4/20 0.39
▸ HPGD P15428 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ MEN1 O00255 2/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ ESR1 P03372 3/20 0.37
▸ ESR2 Q92731 3/20 0.37

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
SCHEMBL13689399 0.93 LMNA (0.43) LMNAPKMHTTKMT2AEGFR
SCHEMBL13691674 0.90 DRD2 (0.41) LMNAPKMHTTKMT2AEGFR
SCHEMBL13689400 0.89 HDAC3 (0.44) LMNAUTS2RPKMHTTKMT2A
SCHEMBL13190967 0.86 MAPT (0.47) LMNAUTS2RPKMHTTKMT2A
SCHEMBL13689395 0.83 HDAC3 (0.35) LMNAPKMHTTKMT2AEGFR
SCHEMBL13689531 0.80 DRD3 (0.52) KMT2ASMN1; SMN2
SCHEMBL13689517 0.80 GAA (0.38) LMNAKMT2ASMN1; SMN2ALDH1A1MEN1
SCHEMBL13691792 0.79 DRD2 (0.52) KMT2ASMN1; SMN2MEN1
SCHEMBL13190970 0.79 DRD2 (0.51) SMN1; SMN2
SCHEMBL13188820 0.78 DRD2 (0.41) LMNAPKMHTTKMT2ASMN1; SMN2

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
WO-2009105823-A1 3-AMINOALKYL-1,4-DIAZEPAN-2-ONE MELANOCORTIN-5 RECEPTOR ANTAGONISTS MIMETICA PTY LTD (AU) 2009-09-03 — — WO disclosed
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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