SCHEMBL11265259

SCHEMBL11265259

O=C(O)CCC(=O)C(Cc1cccnc1)NC(=O)c1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.64
GPR132 Q9UNW8 5/20 0.56
CMKLR2 P46091 1/20 0.53
CMKLR1 Q99788 1/20 0.53
CTSL P07711 2/20 0.53
CTSB P07858 2/20 0.53
CTSS P25774 2/20 0.53
CTSK P43235 1/20 0.53
ECE1 P42892 1/20 0.52
CTSV O60911 1/20 0.52
CTRC Q99895 1/20 0.49
TBXAS1 P24557 1/20 0.49
LMNA P02545 1/20 0.49
ACE2 Q9BYF1 1/20 0.48

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
SCHEMBL1792834 0.87 ACE (0.75) ACECTSLCTSSCTSKACE2
SCHEMBL11125543 0.87 ACE (0.75) ACECTSLCTSSCTSKACE2
SCHEMBL11125540 0.87 ACE (0.75) ACECTSLCTSSCTSKACE2
SCHEMBL10659411 0.86 GPR132 (0.72) ACEGPR132CMKLR2CMKLR1CTSL
SCHEMBL202770 0.82 CTSL (0.60) ACEGPR132CMKLR2CMKLR1CTSL
SCHEMBL27547470 0.82 CTSL (0.60) ACEGPR132CMKLR2CMKLR1CTSL
SCHEMBL7894291 0.81 GPR132 (0.60) ACEGPR132CMKLR2CMKLR1CTSL
SCHEMBL11122993 0.80 ACE (0.64) ACECTSLCTSSCTSKACE2
SCHEMBL11122996 0.80 ACE (0.64) ACECTSLCTSSCTSKACE2
SCHEMBL11281803 0.79 ACE (1.00) ACEACE2

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-4329473-A HYPOTENSIVE AGENTS SRI INTERNATIONAL 1982-05-11 US disclosed