SCHEMBL8865638

SCHEMBL8865638

OC(CCCc1ccccc1)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.38
SIRT2 Q8IXJ6 4/20 0.38
MMP2 P08253 6/20 0.36
MMP3 P08254 1/20 0.36
GRIK1 P39086 1/20 0.35
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
TRPA1 O75762 1/20 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
SCHEMBL8865286 0.89 SIRT2 (0.39) SIRT2CYP11B1CYP11B2
SCHEMBL8865728 0.89 KMT2A (0.38) SIRT2
SCHEMBL8865570 0.86 SIGMAR1 (0.42) SIRT2
SCHEMBL9518110 0.85 FLT3 (0.39) SIRT2CYP11B1CYP11B2
SCHEMBL1736246 0.85 CYP11B1 (0.37) SIRT2CYP11B1CYP11B2
SCHEMBL8865969 0.84 SIRT2 (0.34) SIRT2CYP11B1CYP11B2
SCHEMBL8986522 0.84 SIRT2 (0.40) SIRT2
SCHEMBL10457235 0.84 SIRT2 (0.37) SIRT2CYP11B1CYP11B2
SCHEMBL8865406 0.83 ADRB2 (0.43)
SCHEMBL8865051 0.81 ADRB2 (0.37) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
CN-1054376-C Substituted 1H-imidazoles UCB SA (BE) 2000-07-12 CN disclosed
US-5658938-A HYPOTENSIVE AGENT, ANTIISCHMIC AGENTS U C B S.A. (BE) 1997-08-19 US disclosed
CN-1133837-A Substituted 1H-imidazoles UCB SA (BE) 1996-10-23 CN 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