SCHEMBL18215344

SCHEMBL18215344

COc1cccc([C@@H](C)NC(C)c2cc(-c3ccc(OC(F)F)cc3)c3ccccc3c2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 10/20 0.41
▸ SLC6A2 P23975 1/20 0.41
▸ SLC6A4 P31645 1/20 0.41
▸ PPARG P37231 4/20 0.40
▸ PPARA Q07869 4/20 0.40
▸ GRM2 Q14416 1/20 0.39
▸ PFKFB3 Q16875 3/20 0.38
▸ ROCK2 O75116 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ ROCK1 Q13464 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
SCHEMBL17945927 1.00 CASR (0.41) CASRSLC6A2SLC6A4PPARGPPARA
Hydrochloric Acid SCHEMBL17939837 0.99 CASR (0.41) CASRSLC6A2SLC6A4PPARGPPARA
SCHEMBL17945094 0.88 GRM2 (0.40) CASRPPARGPPARAGRM2PFKFB3
SCHEMBL16548307 0.88 MEN1 (0.47) CASRSLC6A2SLC6A4PFKFB3ROCK2
Hydrochloric Acid SCHEMBL17939795 0.88 GRM2 (0.39) CASRPPARGPPARAGRM2PFKFB3
Hydrochloric Acid SCHEMBL17939978 0.87 MEN1 (0.46) CASRSLC6A2SLC6A4PFKFB3ROCK2
SCHEMBL17945540 0.87 CASR (0.45) CASRSLC6A2SLC6A4PFKFB3ROCK2
SCHEMBL17950564 0.87 CASR (0.42) CASRSLC6A2SLC6A4PFKFB3ROCK2
Hydrochloric Acid SCHEMBL17939817 0.86 CASR (0.44) CASRSLC6A2SLC6A4PFKFB3ROCK2
SCHEMBL16548161 0.85 CASR (0.59) CASRSLC6A2SLC6A4ROCK2CYP3A4

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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