SCHEMBL7269152

SCHEMBL7269152

CC(C)(C)N(NCC#N)C1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.33
CTSK P43235 3/20 0.32
CTSS P25774 2/20 0.32
CTSB P07858 1/20 0.32
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
CASP7 P55210 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9622547 0.76 CTSK (0.35) DPP4CTSKCTSSCTSBMEN1
SCHEMBL19766563 0.67 ALDH1A1 (0.37) DPP4ALDH1A1
SCHEMBL11014659 0.66 CTSK (0.35) DPP4CTSKCTSB
SCHEMBL19766557 0.64 ALDH1A1 (0.35) DPP4ALDH1A1
SCHEMBL11139664 0.61 ADH1C (0.32) DPP4
SCHEMBL11954802 0.61 ADH1A (0.39)
SCHEMBL6062935 0.61 ADH1A (0.39)
SCHEMBL3363095 0.60 KDM4E (0.43) DPP4CTSKMEN1ALDH1A1KMT2A
SCHEMBL10016618 0.59 ADH1A (0.42) MEN1ALDH1A1KMT2A
SCHEMBL31618698 0.59 ADH1A (0.42) MEN1ALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0367036-B1 SUBSTITUTED 3-AMINOSYDNONIMINES, PROCESS FOR THEIR PREPARATION AND THEIR USE CASSELLA Aktiengesellschaft (DE) 1992-04-29 EP disclosed
US-5006540-A Cardiotonic agents CASSELLA AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed
EP-0367036-A2 Substituted 3-aminosydnonimines, process for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1990-05-09 EP disclosed