SCHEMBL16548113

SCHEMBL16548113

CCC(N[C@H](C)c1cccc(Cl)c1)c1cc(-c2ccc(F)c(CCC(=O)O)c2)c2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ CTSA P10619 1/20 0.36
▸ PTGES O14684 4/20 0.35
▸ BCL2L1 Q07817 1/20 0.35
▸ ADRB1 P08588 2/20 0.35
▸ ADRB3 P13945 2/20 0.35
▸ ADRB2 P07550 1/20 0.35
▸ PTGER1 P34995 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ PTGER3 P43115 1/20 0.34
▸ PTGER2 P43116 1/20 0.34
▸ LTB4R Q15722 1/20 0.34
▸ LTB4R2 Q9NPC1 1/20 0.34
▸ TACR3 P29371 4/20 0.34
▸ PPARG P37231 1/20 0.34
▸ PPARD Q03181 1/20 0.34
▸ PPARA Q07869 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
Hydrochloric Acid SCHEMBL16540245 0.99 FFAR1 (0.36) FFAR1FFAR4CTSAPTGESBCL2L1
SCHEMBL18215371 0.93 PTGES (0.37) FFAR1FFAR4CTSAPTGESBCL2L1
SCHEMBL17945642 0.93 PTGES (0.37) FFAR1FFAR4CTSAPTGESBCL2L1
Hydrochloric Acid SCHEMBL16540271 0.92 PTGES (0.37) FFAR1FFAR4CTSAPTGESBCL2L1
SCHEMBL17939843 0.90 TACR3 (0.32) CTSAADRB1ADRB3TACR3PPARG
SCHEMBL16548247 0.90 TACR3 (0.32) CTSAADRB1ADRB3TACR3PPARG
SCHEMBL16548235 0.90 CASR (0.39) FFAR1TACR3
SCHEMBL18215373 0.89 PTGS2 (0.40) FFAR1FFAR4BCL2L1PTGER1PTGER4
Hydrochloric Acid SCHEMBL17939882 0.89 CASR (0.39) FFAR1
SCHEMBL17945975 0.89 PTGS2 (0.40) FFAR1FFAR4BCL2L1PTGER1PTGER4

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 3 patents. 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
US-9493396-B2 Substituted naphthalene compounds as calcium sensing receptor modulators LUPIN ATLANTIS HOLDINGS SA (CH) 2016-11-15 — — US disclosed
WO-2015028938-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2015-03-05 — — WO disclosed
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