SCHEMBL14013780

SCHEMBL14013780

C[C@@H](NC(=O)OC(C)(C)C)C(=O)N(CCO)Cc1cc(F)cc(F)c1F

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 8/20 0.43
▸ SSTR4 P31391 1/20 0.36
▸ TRPA1 O75762 1/20 0.35
▸ AAK1 Q2M2I8 2/20 0.34
▸ CTSS P25774 3/20 0.33
▸ CTSK P43235 3/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA7 P43166 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GLA P06280 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HPGD P15428 1/20 0.31

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
SCHEMBL14013300 0.77 RIPK1 (0.46) RIPK1SSTR4KDM4EHPGD
SCHEMBL29912684 0.72 RIPK1 (0.68) RIPK1
SCHEMBL1344891 0.72 CA1 (0.38) CTSSCTSKCA1CA2CA7
SCHEMBL1343095 0.72 CA1 (0.38) CTSSCTSKCA1CA2CA7
SCHEMBL17882288 0.72 RIPK1 (0.68) RIPK1
SCHEMBL6684667 0.69 CTSS (0.43) CTSSCTSKCA2CA7GAA
SCHEMBL5230355 0.69 ATM (0.40) RIPK1TRPA1AAK1CTSSCTSK
SCHEMBL5007460 0.68 PPARA (0.55) RIPK1CTSSCTSK
SCHEMBL5007458 0.68 PPARA (0.55) RIPK1CTSSCTSK
SCHEMBL14762235 0.67 SSTR4 (0.52) RIPK1SSTR4KDM4EHPGD

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-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 — — WO disclosed
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