SCHEMBL18609918

SCHEMBL18609918

COc1cccc(CNC(C)c2cc(-c3ccc(C)c(C(=O)O)c3)c3ccccc3n2)c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.47
▸ SMN1; SMN2 Q16637 2/20 0.47
▸ HTT P42858 2/20 0.47
▸ CASR P41180 5/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ ACP1 P24666 1/20 0.44
▸ MAPT P10636 2/20 0.43
▸ MMP13 P45452 2/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ATM Q13315 1/20 0.43
▸ APEX1 P27695 1/20 0.43
▸ AGTR1 P30556 1/20 0.42
▸ MAPK11 Q15759 1/20 0.42
▸ MAPK14 Q16539 1/20 0.42

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
SCHEMBL18610314 0.92 SMN1; SMN2 (0.44) LMNASMN1; SMN2HTTCASRRAB9A
SCHEMBL18609917 0.84 ROCK1 (0.44) LMNASMN1; SMN2CASRRAB9AMAPT
SCHEMBL18610128 0.84 SMN1; SMN2 (0.42) LMNASMN1; SMN2HTTCASRACP1
Hydrochloric Acid SCHEMBL18584811 0.83 ROCK1 (0.43) LMNASMN1; SMN2CASRRAB9AMAPT
SCHEMBL18610127 0.83 LMNA (0.42) LMNASMN1; SMN2HTTCASRRAB9A
SCHEMBL17939825 0.80 CASR (0.54) LMNASMN1; SMN2CASRRAB9AMAPT
SCHEMBL17945938 0.80 CASR (0.54) LMNASMN1; SMN2CASRRAB9AMAPT
Hydrochloric Acid SCHEMBL17939869 0.79 CASR (0.53) LMNASMN1; SMN2CASRRAB9AMAPT
Hydrochloric Acid SCHEMBL17939871 0.79 CASR (0.53) LMNASMN1; SMN2CASRRAB9AMAPT
SCHEMBL18610135 0.77 ATM (0.41) LMNASMN1; SMN2HTTCASRACP1

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-2017037616-A1 ARYLALKYLAMINE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2017-03-09 — — WO disclosed
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