SCHEMBL4073987

SCHEMBL4073987

CN(Cc1ccccc1)C(=O)CCC1CCCCC1

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.64
RAB9A P51151 5/20 0.64
KMT2A Q03164 3/20 0.59
MAPK1 P28482 1/20 0.56
MEN1 O00255 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
SLC6A4 P31645 2/20 0.51
RIPK1 Q13546 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.48
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47

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
SCHEMBL4287111 0.85 MAPK1 (0.59) NPC1RAB9AKMT2AMAPK1MEN1
SCHEMBL13889647 0.84 NPC1 (0.60) NPC1RAB9AKMT2AMAPK1MEN1
SCHEMBL1126402 0.81 SLC6A4 (0.44) NPC1RAB9AKMT2AMAPK1MEN1
SCHEMBL4067619 0.79 PKM (0.52) NPC1RAB9AKMT2AMEN1SLC6A4
SCHEMBL4072151 0.76 NPC1 (0.85) NPC1RAB9AKMT2AMAPK1MEN1
SCHEMBL4073985 0.76 KMT2A (0.51) NPC1RAB9AKMT2AMAPK1MEN1
SCHEMBL19750331 0.76 MEN1 (0.64) NPC1RAB9AKMT2AMAPK1MEN1
SCHEMBL5529256 0.75 ATM (0.56) NPC1RAB9AKMT2AMAPK1MEN1
SCHEMBL1690816 0.75 NPC1 (0.82) NPC1RAB9AKMT2AMAPK1MEN1
SCHEMBL12290151 0.75 NPC1 (0.82) NPC1RAB9AKMT2AMAPK1MEN1

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
EP-1415986-B1 SPIRO ISOBENZOFURANES AS NEUROPEPTIDE Y RECEPTOR ANTAGONISTS BANYU PHARMA CO LTD (JP) 2009-04-08 EP disclosed
US-7205417-B2 Spiro compounds BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-04-17 US disclosed