SCHEMBL8865728

SCHEMBL8865728

OC(CCCc1cccc(Cl)c1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SIRT2 Q8IXJ6 1/20 0.37
PLAAT3 P53816 1/20 0.36
PLAAT5 Q96KN8 1/20 0.36
PLAAT2 Q9NWW9 1/20 0.36
PLAAT4 Q9UL19 1/20 0.36
KDM4C Q9H3R0 1/20 0.36
IDO1 P14902 1/20 0.36
TDO2 P48775 1/20 0.36
LMNA P02545 1/20 0.36
HTR3E A5X5Y0 1/20 0.35
HTR3B O95264 1/20 0.35
HTR3A P46098 1/20 0.35
HTR3D Q70Z44 1/20 0.35
HTR3C Q8WXA8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34

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
SCHEMBL8865638 0.89 FAAH (0.38) SIRT2
SCHEMBL8865286 0.87 SIRT2 (0.39) SIRT2ALDH1A1NAAACHRM2CHRM3
SCHEMBL8865570 0.84 SIGMAR1 (0.42) SIRT2SLC2A1CHRM2CHRM3TAAR1
SCHEMBL8986522 0.83 SIRT2 (0.40) SIRT2ALDH1A1SMN1; SMN2
SCHEMBL8865406 0.80 ADRB2 (0.43) PLAAT3PLAAT5PLAAT2PLAAT4ALDH1A1
SCHEMBL9518110 0.78 FLT3 (0.39) SIRT2ALDH1A1
SCHEMBL1736246 0.77 CYP11B1 (0.37) SIRT2
SCHEMBL8865969 0.76 SIRT2 (0.34) SIRT2KDM4CTAAR1
SCHEMBL10457235 0.76 SIRT2 (0.37) SIRT2
SCHEMBL8865634 0.76 HTR1A (0.35) SIRT2

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
US-5658938-A HYPOTENSIVE AGENT, ANTIISCHMIC AGENTS U C B S.A. (BE) 1997-08-19 US disclosed
EP-0717037-A1 Substituted 1H-imidazoles having alpha 2-agonistic and alpha 1-antagonistic activity U C B, S.A. (BE) 1996-06-19 EP disclosed