SCHEMBL9725799

SCHEMBL9725799

CON(C)[C@@H](CC(C)CC(=O)C(NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1)C(N)=O

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSL P07711 7/20 0.48
CAPN1 P07384 2/20 0.48
CTSB P07858 4/20 0.46
CTSS P25774 1/20 0.46
CTSK P43235 1/20 0.46
REN P00797 1/20 0.46
TACR1 P25103 2/20 0.45
HTRA1 Q92743 1/20 0.44

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
SCHEMBL9725783 0.94 CAPN1 (0.48) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL7268421 0.82 CAPN1 (0.52) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL7270180 0.77 CTSL (0.51) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL7269500 0.77 CTSL (0.50) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL7275321 0.76 CAPN1 (0.51) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL7268416 0.76 CAPN1 (0.58) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL7268180 0.75 TACR1 (0.64) CTSLCTSBCTSSCTSKTACR1
SCHEMBL30819309 0.74 CTSL (0.65) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL9725809 0.73 ALDH1A1 (0.48) CTSLCAPN1CTSBCTSSCTSK
SCHEMBL17959489 0.73 CAPN1 (0.72) CTSLCAPN1CTSBCTSSCTSK

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
US-5106835-A Hypotensive agents AMERICAN CYANAMID COMPANY (US) 1992-04-21 US disclosed