SCHEMBL8113192

SCHEMBL8113192

CCC(c1cccc(C(F)(F)F)c1)C(CCOCCC(c1c[nH]cn1)C(CC)c1cccc(C(F)(F)F)c1)c1c[nH]cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.37
MC4R P32245 1/20 0.34
KMT2A Q03164 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALOX15 P16050 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
FAAH O00519 1/20 0.32
DAO P14920 1/20 0.32
GAA P10253 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
SCHEMBL8115694 0.80 SHBG (0.37)
SCHEMBL2105356 0.79 PNMT (0.43) PNMTMC4RKMT2AIDO1TDO2
SCHEMBL8114777 0.78 ESR1 (0.33) ALOX15SLC6A2CYP1A2CYP3A4CYP2C9
SCHEMBL4378576 0.76 PNMT (0.37) PNMTMC4RKMT2AIDO1TDO2
SCHEMBL8118969 0.76 ESR1 (0.33) KDM4EALOX15SLC6A2SLC6A4CYP1A2
SCHEMBL650314 0.76 ESR1 (0.33) KMT2AALOX15L3MBTL1SLC6A2SLC6A4
SCHEMBL6914643 0.72 PNMT (0.47) PNMTIDO1TDO2DAO
SCHEMBL4381403 0.72 ESR1 (0.34) KMT2AMEN1
SCHEMBL8113194 0.72 TAAR1 (0.39) IDO1SLC6A2SLC6A4CYP1A2CYP3A4
Hydrochloric Acid SCHEMBL1438646 0.71 PNMT (0.46) PNMTIDO1TDO2DAO

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP claimed