SCHEMBL4381007

SCHEMBL4381007

CCC(=O)c1ccc(OCCc2c[nH]cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 2/20 0.52
MAPT P10636 2/20 0.52
RAB9A P51151 2/20 0.52
HPGD P15428 1/20 0.52
GAA P10253 1/20 0.48
HRH3 Q9Y5N1 7/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
HRH2 P25021 1/20 0.44
HRH1 P35367 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43

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
Oxalic Acid SCHEMBL7988348 0.96 SMN1; SMN2 (0.49) SMN1; SMN2NPC1MAPTRAB9AHPGD
SCHEMBL7977335 0.93 SMN1; SMN2 (0.51) SMN1; SMN2NPC1MAPTRAB9AHPGD
SCHEMBL7961178 0.86 HRH3 (0.58) SMN1; SMN2MAPTGAAHRH3L3MBTL1
SCHEMBL4379265 0.85 KMT2A (0.46) SMN1; SMN2NPC1MAPTRAB9AHPGD
SCHEMBL7974811 0.84 TDP1 (0.51) MAPTHRH3L3MBTL1
SCHEMBL7971202 0.84 MAPT (0.60) SMN1; SMN2NPC1MAPTRAB9AGAA
SCHEMBL7987565 0.83 L3MBTL1 (0.55) SMN1; SMN2NPC1MAPTHRH3L3MBTL1
SCHEMBL7991268 0.82 HRH3 (0.57) NPC1RAB9AHRH3HRH2HRH1
SCHEMBL7990745 0.81 HRH2 (0.57) L3MBTL1HRH2HRH1
SCHEMBL7974440 0.81 GAA (0.56) SMN1; SMN2MAPTHPGDGAAHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
WO-1996031526-A1 ANTI-OBESITY AGENTS AMYLIN PHARMACEUTICALS, INC. (US) 1996-10-10 WO disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed