SCHEMBL4378565

SCHEMBL4378565

O=CC=Cc1ccccc1-c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.34
CCND1 P24385 2/20 0.34
CCNB2 O95067 1/20 0.34
CDK1 P06493 1/20 0.34
CCNB1 P14635 1/20 0.34
CCNB3 Q8WWL7 1/20 0.34
HTR3A P46098 2/20 0.34
HRH3 Q9Y5N1 6/20 0.33
KCNH2 Q12809 3/20 0.33
GP6 Q9HCN6 1/20 0.33
FFAR4 Q5NUL3 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
HRH4 Q9H3N8 1/20 0.31
HDAC8 Q9BY41 1/20 0.31

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
SCHEMBL4381289 0.81 HRH4 (0.35) HRH3KCNH2HRH4
SCHEMBL4381291 0.81 HRH4 (0.35) HRH3KCNH2HRH4
SCHEMBL4384169 0.73 ALDH1A1 (0.48) KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL4376189 0.72 KCNH2 (0.37) HRH3KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL4384300 0.72 LTA4H (0.51) HRH3KCNH2
SCHEMBL7990921 0.71 HRH3 (0.36) HRH3KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL8795290 0.71 ALDH1A1 (0.41) HRH3KCNH2
SCHEMBL7988201 0.70 FFAR1 (0.37) HRH3KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL4384634 0.70 KCNH2 (0.36) HRH3KCNH2CYP3A4CYP2D6CYP2C9
SCHEMBL4378023 0.70 CYP3A4 (0.40) HRH3KCNH2CYP3A4CYP2D6CYP2C9

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