SCHEMBL8198539

SCHEMBL8198539

COCCOc1ccc(Br)cc1C1=NCCN1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.49
KCNH2 Q12809 1/20 0.49
LMNA P02545 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
HTT P42858 3/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
CCR5 P51681 1/20 0.40
GAA P10253 1/20 0.39
PDCD1LG2 Q9BQ51 1/20 0.39
CD274 Q9NZQ7 1/20 0.39
NISCH Q9Y2I1 4/20 0.38
STAT3 P40763 1/20 0.38

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
Hydrochloric Acid SCHEMBL8203684 0.89 MC4R (0.46) MC4RKCNH2LMNASMN1; SMN2HTT
SCHEMBL6824821 0.87 MC4R (0.43) MC4RKCNH2LMNASMN1; SMN2HTT
Hydrochloric Acid SCHEMBL8201038 0.80 LMNA (0.50) KCNH2LMNANISCH
Hydrochloric Acid SCHEMBL8203262 0.80 NISCH (0.54) NISCH
Hydrochloric Acid SCHEMBL8197454 0.77 ADRA1D (0.45) NISCH
Hydrochloric Acid SCHEMBL8197437 0.77 NISCH (0.53) MC4RPDCD1LG2CD274NISCH
SCHEMBL6825218 0.77 KCNH2 (0.43) MC4RKCNH2PDCD1LG2CD274NISCH
SCHEMBL8218532 0.77 NISCH (0.38) MC4RPDCD1LG2CD274NISCH
Hydrochloric Acid SCHEMBL7738758 0.76 KCNH2 (0.43) MC4RKCNH2PDCD1LG2CD274NISCH
Hydrochloric Acid SCHEMBL8194260 0.76 NISCH (0.48) NISCH

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
WO-2000078726-A1 IMIDAZOLINE DERIVATIVES FOR THE TREATMENT OF DIABETES, ESPECIALLY TYPE II DIABETES ELI LILLY AND COMPANY (US) 2000-12-28 WO disclosed