SCHEMBL4379243

SCHEMBL4379243

O=C(O)N(CCCc1c[nH]cn1)CC(c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.36
BRD4 O60885 2/20 0.32
TACR1 P25103 2/20 0.32
ALDH1A1 P00352 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
RECQL P46063 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DUT P33316 1/20 0.31
HTR2A P28223 1/20 0.31
HRH1 P35367 1/20 0.31
REN P00797 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 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
SCHEMBL4379614 0.92 BRD4 (0.33) PTGDR2BRD4ALDH1A1CYP3A4TSHR
SCHEMBL7977296 0.90 PTGDR2 (0.43) PTGDR2ALDH1A1CYP3A4TSHRCYP2C19
SCHEMBL7988259 0.89 AOC3 (0.35) PTGDR2BRD4TACR1KDM4EHRH1
SCHEMBL4376051 0.81 POLB (0.33) PTGDR2ALDH1A1CYP3A4TSHRCYP2C19
SCHEMBL8809016 0.80 HRH4 (0.30)
SCHEMBL7433406 0.78 PTGDR2 (0.37) PTGDR2ALDH1A1CYP3A4TSHRCYP2C19
SCHEMBL7991354 0.78
Hydrochloric Acid SCHEMBL7428983 0.77 PTGDR2 (0.36) PTGDR2ALDH1A1CYP3A4TSHRCYP2C19
SCHEMBL9119383 0.75 CYP19A1 (0.43) HTR2AHRH1
SCHEMBL8684896 0.74 HTR1A (0.36) HTR2AHDAC1HDAC6

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 5 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 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
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