SCHEMBL7968327

SCHEMBL7968327

CNc1ccc(C(C)(CN(CC(=O)C=C=O)OC)C(=O)N2CCCC2)cc1N

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7421339 0.77 PRKCI (0.32) MEN1NPC1ALDH1A1HTTRAB9A
SCHEMBL7100641 0.72 AAK1 (0.38) MEN1NPC1ALDH1A1HTTRAB9A
SCHEMBL7421332 0.72 PRKCI (0.33) MEN1NPC1ALDH1A1HTTRAB9A
SCHEMBL7421336 0.71 PRKCI (0.34) MEN1NPC1ALDH1A1HTTRAB9A
SCHEMBL7097430 0.69 ALOX15 (0.35) MEN1NPC1ALDH1A1HTTRAB9A
SCHEMBL7099917 0.67 STK25 (0.32)
SCHEMBL7981483 0.67 PRKCI (0.39) MEN1NPC1ALDH1A1HTTRAB9A
SCHEMBL4449996 0.66 ALOX15 (0.38) MEN1NPC1ALDH1A1HTTRAB9A
SCHEMBL7413823 0.66 ALOX15 (0.38) MEN1NPC1ALDH1A1HTTRAB9A
SCHEMBL7476265 0.65 ALOX15 (0.36) MEN1NPC1ALDH1A1HTTRAB9A

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-6200976-B1 FOR TREATING THROMBOSIS BOEHRINGER INGELHEIM PHARMA KG (DE) 2001-03-13 US disclosed