SCHEMBL4378557

SCHEMBL4378557

CC(=O)Cc1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
PDE4A P27815 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HIF1A Q16665 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
ALDH1A1 P00352 2/20 0.40
FFAR1 O14842 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL4378585 0.88 ALDH1A1 (0.53) KDM4ECYP1A2SMN1; SMN2HRH3ALDH1A1
SCHEMBL4378580 0.87 KDM4E (0.43) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4383472 0.87 ALDH1A1 (0.46) KDM4EHRH3ALDH1A1FFAR1L3MBTL1
SCHEMBL4383862 0.86 ALDH1A1 (0.46) HRH3ALDH1A1FFAR1L3MBTL1LMNA
SCHEMBL4385206 0.86 KDM4E (0.39) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4383468 0.85 KDM4E (0.44) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4394357 0.85 HRH3 (0.38) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4394354 0.85 HRH3 (0.38) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4383858 0.84 KDM4E (0.46) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4376187 0.84 L3MBTL1 (0.59) POLBKDM4ESMN1; SMN2HRH3ALDH1A1

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 7 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-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP claimed
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 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
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP 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