SCHEMBL7478941

SCHEMBL7478941

c1ccc(CCCn2c(CCc3nc4ccccc4[nH]3)nc3ccccc32)cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.60
RAB9A P51151 1/20 0.60
LMNA P02545 2/20 0.54
MAPT P10636 1/20 0.54
POLB P06746 3/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
RECQL P46063 1/20 0.51
PKM P14618 1/20 0.51
HTR3A P46098 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
EGLN3 Q9H6Z9 1/20 0.49
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48

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
SCHEMBL7477008 0.84 F2 (0.53) NPC1RAB9AMAPTALDH1A1
SCHEMBL6753946 0.77 NPC1 (0.81) NPC1RAB9AMAPTPOLBGAA
SCHEMBL6753967 0.77 POLB (0.83) NPC1RAB9AMAPTPOLBGAA
SCHEMBL30583066 0.77 RAB9A (1.00) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL784574 0.77 RAB9A (1.00) NPC1RAB9AMAPTPOLBALDH1A1
SCHEMBL5274918 0.76 POLB (0.80) NPC1RAB9AMAPTPOLBGAA
SCHEMBL30583064 0.76 POLB (0.80) NPC1RAB9AMAPTPOLBGAA
SCHEMBL6367344 0.76 POLB (0.80) NPC1RAB9AMAPTPOLBGAA
SCHEMBL8974511 0.76 POLB (0.80) NPC1RAB9AMAPTPOLBGAA
SCHEMBL8958097 0.76 POLB (0.80) NPC1RAB9AMAPTPOLBGAA

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-1999026933-A1 SUBSTITUTED AMIDINOARYL DERIVATIVES AND THEIR USE AS ANTICOAGULANTS AXYS PHARMACEUTICALS, INC. (US) 1999-06-03 WO claimed