SCHEMBL7333871

SCHEMBL7333871

CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)C(=O)C[N]C1CC2CCC1C2

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.44
CASP3 P42574 2/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
CASP6 P55212 1/20 0.44
CASP8 Q14790 1/20 0.44
CTSK P43235 4/20 0.43
CTSB P07858 3/20 0.43
CTSL P07711 3/20 0.43
CTSS P25774 3/20 0.43
CAPN1 P07384 3/20 0.43
CA2 P00918 1/20 0.42
CA5A P35218 1/20 0.42
CYP3A4 P08684 3/20 0.41
TSHR P16473 3/20 0.41

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
SCHEMBL7325575 0.74 CTSB (0.50) CCR1CASP3CASP1CASP7CASP6
SCHEMBL8346816 0.72 CTSL (0.62) CCR1CASP3CASP1CASP7CASP6
SCHEMBL17704241 0.72 CTSL (0.62) CCR1CASP3CASP1CASP7CASP6
SCHEMBL6436627 0.72 CTSL (0.62) CCR1CASP3CASP1CASP7CASP6
SCHEMBL7330793 0.71 ELANE (0.49) CCR1CASP3CASP1CASP7CASP6
SCHEMBL18134966 0.71 CTSL (0.60) CCR1CASP3CASP1CASP7CASP6
SCHEMBL10885791 0.71 CTSL (0.60) CCR1CASP3CASP1CASP7CASP6
SCHEMBL5338870 0.71 CTSL (0.60) CASP3CASP1CASP7CASP6CASP8
SCHEMBL14902868 0.71 CTSL (0.60) CCR1CASP3CASP1CASP7CASP6
SCHEMBL5120950 0.71 CTSL (0.60) CASP3CASP1CASP7CASP6CASP8

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
EP-0369391-A2 N-substituted amides BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 1990-05-23 EP disclosed