SCHEMBL22602618

SCHEMBL22602618

CNC(CCCNC(N)=O)C(=O)Nc1ccc(CC(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 5/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.47
▸ GAA P10253 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ CRHBP P24387 1/20 0.47
▸ CRHR2 Q13324 1/20 0.47
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA2 P00918 1/20 0.46
▸ CA4 P22748 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ SPHK1 Q9NYA1 1/20 0.44
▸ CACNA1B Q00975 2/20 0.40
▸ EPHX1 P07099 1/20 0.40
▸ ALOX5 P09917 1/20 0.39
▸ NPY4R P50391 4/20 0.39
▸ NPY1R P25929 3/20 0.39
▸ NPY2R P49146 3/20 0.39
▸ NPY5R Q15761 3/20 0.39
▸ CXCR1 P25024 1/20 0.39

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
SCHEMBL26445334 1.00 TRPV1 (0.48) TRPV1SMN1; SMN2GAAMAPTCRHBP
SCHEMBL27431579 0.88 SPHK1 (0.49) SPHK1CACNA1B
SCHEMBL24475446 0.88 SPHK1 (0.49) SPHK1CACNA1B
SCHEMBL24086378 0.88 SPHK1 (0.49) MAPTCRHBPCRHR2SPHK1
SCHEMBL20715717 0.86 TRPV1 (0.49) TRPV1SMN1; SMN2GAAMAPTCRHBP
SCHEMBL19466303 0.84 FURIN (0.42) TRPV1SMN1; SMN2GAAMAPTCRHBP
SCHEMBL19466325 0.84 FURIN (0.42) TRPV1SMN1; SMN2GAAMAPTCRHBP
SCHEMBL21167799 0.83 SIRT2 (0.44) SPHK1
SCHEMBL22593910 0.83 TRPV1 (0.46) TRPV1SMN1; SMN2GAAMAPTCRHBP
SCHEMBL25100584 0.82 SIRT2 (0.43) MAPTSPHK1

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-2020216947-A1 AMATOXIN ANTIBODY-DRUG CONJUGATES AND USES THEREOF HEIDELBERG PHARMA RESEARCH GMBH (DE) 2020-10-29 — — WO disclosed
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