SCHEMBL8773761

SCHEMBL8773761

O=C(NCCOc1ccc(Cc2ccc(F)cc2)cc1)C1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.52
ALDH1A1 P00352 3/20 0.52
NPC1 O15118 1/20 0.51
PKM P14618 1/20 0.51
EPHX2 P34913 1/20 0.51
RAB9A P51151 1/20 0.51
F10 P00742 5/20 0.50
LMNA P02545 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
HTR2C P28335 1/20 0.45
HTR2A P28223 2/20 0.44
LTA4H P09960 2/20 0.44

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
SCHEMBL8639322 0.89 SMN1; SMN2 (0.62) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL8635989 0.86 SMN1; SMN2 (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL8641254 0.83 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL28619865 0.82 KMT2A (0.57) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL7409264 0.82 SMN1; SMN2 (0.68) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL17842262 0.81 RAB9A (0.75) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL8773766 0.81 KMT2A (0.48) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL5081412 0.80 KMT2A (0.59) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL8640087 0.80 SMN1; SMN2 (0.68) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1
SCHEMBL8644228 0.79 LTA4H (0.52) MEN1KMT2ASMN1; SMN2ALDH1A1NPC1

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-0804427-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1997-11-05 EP disclosed
WO-1996011192-A1 LTA4 HYDROLASE INHIBITORS G.D. SEARLE & CO. (US) 1996-04-18 WO disclosed