SCHEMBL21360159

SCHEMBL21360159

C=CCC1CCN(C(=O)OCc2ccccc2)C1(CN)C(=O)OC

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.46
F2 P00734 3/20 0.46
CTSG P08311 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.40
F13A1 P00488 3/20 0.39
TGM2 P21980 3/20 0.39
TGM1 P22735 3/20 0.39
PREP P48147 1/20 0.39
HTR2C P28335 1/20 0.37

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
SCHEMBL31367138 0.86 ELANE (0.48) ELANEF2CTSGSMN1; SMN2NPC1
SCHEMBL21359919 0.85 ELANE (0.44) ELANEF2CTSGSMN1; SMN2NPC1
SCHEMBL31367146 0.85 ELANE (0.44) ELANEF2CTSGSMN1; SMN2NPC1
SCHEMBL21360032 0.82 ELANE (0.41) ELANEF2CTSGSMN1; SMN2NPC1
SCHEMBL21358152 0.81
SCHEMBL21358489 0.80 STS (0.38) ELANEF2CTSGSMN1; SMN2NPC1
SCHEMBL21358594 0.75 NPC1 (0.36) ELANEF2CTSGSMN1; SMN2NPC1
SCHEMBL7399283 0.73 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19HTT
SCHEMBL30591138 0.73 ELANE (0.48) ELANEF2CTSGSMN1; SMN2NPC1
SCHEMBL21360001 0.71 NPSR1 (0.39) NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765006-A1 ARGINASE INHIBITORS AND METHODS OF USE Merck Sharp&Dohme Corp. (US) 2021-01-20 EP disclosed
WO-2019177873-A1 ARGINASE INHIBITORS AND METHODS OF USE MERCK SHARP & DOHME CORP. (US) 2019-09-19 WO disclosed