SCHEMBL9622547

SCHEMBL9622547

N#CCNN(C1CCCCC1)C1CCCCC1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.35
CTSB P07858 2/20 0.35
CTSS P25774 2/20 0.35
ALDH1A1 P00352 2/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.33
CASP7 P55210 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ADH1A P07327 3/20 0.32
ADH1C P00326 2/20 0.32
DPP4 P27487 1/20 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
SCHEMBL7269152 0.76 DPP4 (0.33) CTSKCTSBCTSSALDH1A1MEN1
SCHEMBL1685454 0.75 ADH1A (0.40) ALDH1A1ADH1AADH1C
SCHEMBL1685459 0.73 ADH1A (0.41) ALDH1A1ADH1AADH1C
SCHEMBL14219531 0.71 ADH1A (0.39) ALDH1A1HSD17B10ADH1AADH1C
SCHEMBL28334919 0.67 ALDH1A1 (0.32) ALDH1A1
SCHEMBL20774200 0.65 NAAA (0.46)
SCHEMBL3363095 0.65 KDM4E (0.43) CTSKALDH1A1MEN1KMT2AHSD17B10
SCHEMBL151279 0.64 HRH4 (0.39) ALDH1A1MEN1USP2POLBALOX15
SCHEMBL4371656 0.63 ADH1C (0.38) CTSKCTSBADH1AADH1CDPP4
SCHEMBL21533309 0.62 ADH1B (0.45) CTSKCTSBCTSSALDH1A1KMT2A

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
US-5166166-A Hypotensive agents or treatment of cardiovascular disorders CASSELLA AKTIENGESELLSCHAFT (DE) 1992-11-24 US disclosed
EP-0471232-A1 3-Dicyclohexylamino-sydnonimines, method for their preparation and their use CASSELLA Aktiengesellschaft (DE) 1992-02-19 EP disclosed