SCHEMBL4384958

SCHEMBL4384958

CCC/C(Cc1ccc(OCCCc2c[nH]cn2)cc1)=N\O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PDE4A P27815 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GAA P10253 2/20 0.36
RAB9A P51151 2/20 0.36
LMNA P02545 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALDH1A1 P00352 1/20 0.35
NPC1 O15118 1/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
PLA2G4B P0C869 1/20 0.34

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
SCHEMBL4384962 1.00 KDM4E (0.38) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4390061 0.94 CYP1A2 (0.40) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4390064 0.94 CYP1A2 (0.40) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4378232 0.91 CYP1A2 (0.36) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4378236 0.91 CYP1A2 (0.36) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4383468 0.85 KDM4E (0.44) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4394357 0.84 HRH3 (0.38) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4394354 0.84 HRH3 (0.38) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL7977277 0.82 GAA (0.43) CYP1A2CYP2D6GAARAB9ALMNA
SCHEMBL4383858 0.81 KDM4E (0.46) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2

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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US 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