SCHEMBL18215343

SCHEMBL18215343

CC(N[C@H](C)c1cccc(Cl)c1)c1cc(-c2ccc(C(F)(F)F)cc2)c2ccccc2c1

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 14/20 0.54
▸ MDM2 Q00987 2/20 0.37
▸ ENPP1 P22413 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ TRPA1 O75762 1/20 0.36

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
SCHEMBL16548225 1.00 CASR (0.54) CASRMDM2ENPP1SLC6A4TRPA1
Hydrochloric Acid SCHEMBL17939884 0.99 CASR (0.53) CASRMDM2ENPP1SLC6A4TRPA1
SCHEMBL16548304 0.91 CASR (0.45) CASRSLC6A4TRPA1
Hydrochloric Acid SCHEMBL17939903 0.90 CASR (0.45) CASRSLC6A4TRPA1
SCHEMBL17945902 0.89 CASR (0.54) CASRSLC6A4
SCHEMBL18215375 0.89 CASR (0.54) CASRSLC6A4
Hydrochloric Acid SCHEMBL17939848 0.88 CASR (0.53) CASRSLC6A4
SCHEMBL16548305 0.87 KIT (0.39) CASR
Hydrochloric Acid SCHEMBL17939951 0.86 KIT (0.39) CASR
SCHEMBL16548219 0.86 CASR (0.41) CASR

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
US-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 — — US disclosed
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