SCHEMBL4383673

SCHEMBL4383673

CCCCc1ccc(C(CCc2c[nH]cn2)OC(CCc2c[nH]cn2)c2ccc(CCCC)cc2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HSD11B1 P28845 1/20 0.33
HTR2A P28223 1/20 0.33
UCHL3 P15374 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NISCH Q9Y2I1 1/20 0.33
HTR1D P28221 1/20 0.33
POLA1 P09884 2/20 0.32
S1PR1 P21453 2/20 0.32
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL7991257 0.77 CYP3A4 (0.45) NPC1RAB9AMEN1KMT2ASMN1; SMN2
SCHEMBL4394318 0.75 SLC6A4 (0.33)
SCHEMBL793540 0.74
SCHEMBL4379648 0.74 AKT2 (0.33)
SCHEMBL4387545 0.73 HRH3 (0.36)
SCHEMBL8794458 0.73 CA1 (0.37) CA1CA2HSD11B1NPC1RAB9A
SCHEMBL4383675 0.73 HTR2A (0.38) HSD11B1HTR2AUCHL3NPC1RAB9A
SCHEMBL21725446 0.72 HRH3 (0.34) ALDH1A1
SCHEMBL9357907 0.72 HTR2A (0.51) HTR2AS1PR1TP53ALDH1A1HSD17B10
SCHEMBL650316 0.70 PPARG (0.38) HTR2A

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 2 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
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