SCHEMBL3963855

SCHEMBL3963855

N#Cc1cccc(OCCNC(=O)C2CCNCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.57
NPC1 O15118 1/20 0.57
PKM P14618 1/20 0.57
EPHX2 P34913 1/20 0.57
RAB9A P51151 1/20 0.57
ALDH1A1 P00352 2/20 0.50
MEN1 O00255 2/20 0.49
KMT2A Q03164 2/20 0.49
F10 P00742 5/20 0.47
MTNR1A P48039 2/20 0.45
MTNR1B P49286 1/20 0.45

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
SCHEMBL17842262 0.86 RAB9A (0.75) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL3971725 0.82 CHRM4 (0.65) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL3964336 0.82 NPC1 (0.54) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL3964755 0.82 NPSR1 (0.53) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL8640087 0.82 SMN1; SMN2 (0.68) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL3974111 0.82 EPHX2 (0.49) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL3971956 0.82 F10 (0.73) F10
SCHEMBL3897958 0.81 F10 (0.55) SMN1; SMN2NPC1RAB9AALDH1A1F10
SCHEMBL3968898 0.81 HPGD (0.63) SMN1; SMN2NPC1PKMEPHX2RAB9A
SCHEMBL7409264 0.79 SMN1; SMN2 (0.68) SMN1; SMN2NPC1PKMEPHX2RAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
EP-0976722-A1 BENZAMIDINE DERIVATIVES Ajinomoto Co., Inc. (JP) 2000-02-02 EP disclosed