SCHEMBL4383675

SCHEMBL4383675

CCCCc1ccc(C(CCOCCC(c2ccc(CCCC)cc2)c2c[nH]cn2)c2c[nH]cn2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
LMNA P02545 2/20 0.36
CYP3A4 P08684 2/20 0.36
USP2 O75604 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLCO1B3 Q9NPD5 1/20 0.36
SLCO1B1 Q9Y6L6 1/20 0.36
HSD11B1 P28845 2/20 0.35
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP19A1 P11511 3/20 0.34
MAPT P10636 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL8794460 0.87 HTR2A (0.40) HTR2AALDH1A1MEN1KMT2ALMNA
SCHEMBL1991386 0.81 SLC6A2 (0.38) HTR2ALMNATSHRNFKB1THPO
SCHEMBL9120812 0.76 CYP19A1 (0.58) HTR2ACYP19A1
SCHEMBL4388946 0.75
SCHEMBL8104990 0.74 HRH3 (0.36) MEN1KMT2ACYP19A1HRH3
SCHEMBL8106289 0.73 FAAH (0.36) MEN1KMT2ACYP19A1HRH3
SCHEMBL9090439 0.73 CYP19A1 (0.55) HTR2AHSD17B10CYP19A1TSHR
SCHEMBL4383673 0.73 CA1 (0.36) HTR2AALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL4387548 0.72 HRH3 (0.36) HRH3
SCHEMBL9124186 0.72 CYP19A1 (0.63) HTR2ACYP19A1

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