SCHEMBL4386689

SCHEMBL4386689

CCc1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
HPGD P15428 1/20 0.45
HRH3 Q9Y5N1 3/20 0.43
CISD1 Q9NZ45 1/20 0.39
KCNH2 Q12809 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP19A1 P11511 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL7973104 0.92 MAPT (0.43) LMNASMN1; SMN2ALDH1A1MAPTHPGD
Oxalic Acid SCHEMBL7990912 0.92 MEN1 (0.47) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL7991257 0.88 CYP3A4 (0.45) LMNASMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4380966 0.88 NQO1 (0.45) LMNASMN1; SMN2ALDH1A1MAPTHRH3
SCHEMBL4390109 0.85 KCNH2 (0.39) ALDH1A1MAPTHRH3KCNH2CYP3A4
SCHEMBL4376133 0.85 HRH3 (0.46) HRH3KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL7987297 0.84 HRH3 (0.54) LMNASMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL4392060 0.83 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1NPC1KDM4ETSHR
SCHEMBL4378580 0.83 KDM4E (0.43) LMNASMN1; SMN2ALDH1A1HRH3KDM4E
SCHEMBL4376189 0.82 KCNH2 (0.37) LMNASMN1; SMN2ALDH1A1MAPTHPGD

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
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
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed