SCHEMBL22476780

SCHEMBL22476780

Cc1cc(NC2CCOCC2)c2[nH]c(C(=O)N3CCCC3)cc2c1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 12/20 0.51
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
HRH3 Q9Y5N1 1/20 0.44
CCNE1 P24864 4/20 0.42
CDK2 P24941 4/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PTK2B Q14289 1/20 0.41

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
SCHEMBL17865500 0.92 HRH4 (0.51) HRH4NPC1RAB9AHRH3MEN1
SCHEMBL16523116 0.86 HRH4 (0.44) HRH4NPC1RAB9AHRH3MEN1
SCHEMBL17865549 0.85 HRH4 (0.43) HRH4NPC1RAB9AHRH3MEN1
SCHEMBL17865536 0.84 HRH4 (0.53) HRH4NPC1RAB9AHRH3MEN1
SCHEMBL17865521 0.78 HRH3 (0.46) HRH4RAB9AHRH3
SCHEMBL17865542 0.78 HRH4 (0.54) HRH4HRH3
SCHEMBL16523104 0.78 HRH4 (0.54) HRH4NPC1RAB9AHRH3MEN1
SCHEMBL17865666 0.77 PARP14 (0.39)
SCHEMBL17865504 0.76 PIN1 (0.41) HRH4NPC1RAB9AMEN1KMT2A
SCHEMBL17865567 0.74 HRH4 (0.51) HRH4RAB9AHRH3MEN1KMT2A

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-3037412-B1 INDOLE AMIDE COMPOUND AS INHIBITOR OF NECROSIS LG CHEMICAL LTD (KR) 2020-09-30 EP disclosed