SCHEMBL16540407

SCHEMBL16540407

COc1cc(F)cc(CCNCCc2cc(-c3cc(F)cc(CCC(=O)OC(C)C)c3)c3ccccc3c2)c1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 2/20 0.36
▸ HSD17B2 P37059 1/20 0.35
▸ MTNR1A P48039 2/20 0.34
▸ MTNR1B P49286 2/20 0.34
▸ MEN1 O00255 5/20 0.34
▸ KMT2A Q03164 5/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ CNR2 P34972 1/20 0.34
▸ PTPN1 P18031 2/20 0.33
▸ CETP P11597 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ AKR1B1 P15121 1/20 0.32
▸ ABCB1 P08183 1/20 0.32

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
SCHEMBL17939844 0.85 PPARG (0.37) HSD17B1HSD17B2MTNR1AMTNR1BMEN1
SCHEMBL16548134 0.85 PPARG (0.37) HSD17B1HSD17B2MTNR1AMTNR1BMEN1
SCHEMBL16540409 0.81 PLA2G1B (0.37) MEN1KMT2AKDM4EALDH1A1TDP1
SCHEMBL17939841 0.80 CASR (0.40) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL16548150 0.80 CASR (0.40) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL18609947 0.79 HSD17B1 (0.35) HSD17B1HSD17B2MEN1KMT2AKDM4E
SCHEMBL17939912 0.78 CASR (0.40) MEN1KMT2ATDP1
SCHEMBL17939866 0.78 CASR (0.38) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL16548177 0.78 CASR (0.38) MTNR1AMTNR1BMEN1KMT2A
Hydrochloric Acid SCHEMBL16540251 0.77 KCNH2 (0.42) MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3039014-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS Lupin Atlantis Holdings SA (CH) 2016-07-06 — — EP claimed
WO-2015028938-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2015-03-05 — — WO claimed
EP-3039014-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS Lupin Atlantis Holdings SA (CH) 2016-07-06 — — EP disclosed
WO-2015028938-A1 SUBSTITUTED NAPHTHALENE COMPOUNDS AS CALCIUM SENSING RECEPTOR MODULATORS LUPIN LIMITED (IN) 2015-03-05 — — WO disclosed
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