SCHEMBL7815423

SCHEMBL7815423

CCCC(CC(C)C)(C(=O)NN)C(=O)[C@]1([C@H](CC=Cc2ccccc2)C(=O)NO)N=CC(C)=C1C

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADAM17 P78536 1/20 0.34
CTSC P53634 1/20 0.32
MASP2 O00187 1/20 0.31
HTR2A P28223 3/20 0.30

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
SCHEMBL6988652 0.78 ADAM17 (0.32) ADAM17
SCHEMBL6982108 0.77 ADAM17 (0.33) ADAM17CTSC
SCHEMBL6985159 0.77 ADAM17 (0.33) ADAM17CTSC
Hydrochloric Acid SCHEMBL6984767 0.74 ADAM17 (0.30) ADAM17CTSC
Hydrochloric Acid SCHEMBL6984245 0.74 ADAM17 (0.30) ADAM17CTSC
Hydrochloric Acid SCHEMBL6982151 0.74 CTSC (0.35) ADAM17CTSCMASP2HTR2A
SCHEMBL6941953 0.73 ADAM17 (0.39) ADAM17CTSCMASP2HTR2A
SCHEMBL6986382 0.72 TGFBR1 (0.32)
Hydrochloric Acid SCHEMBL6982639 0.72 CTSC (0.36) ADAM17CTSCMASP2HTR2A
SCHEMBL6983057 0.71 ADAM17 (0.33) ADAM17CTSCMASP2HTR2A

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-1089964-A1 HYDRAZINE DERIVATIVES F.HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-2000000465-A1 HYDRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2000-01-06 WO disclosed