SCHEMBL8871413

SCHEMBL8871413

CC(C)(C)OC(=O)NCC(=O)N1C(C(=O)O)CCCC1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 3/20 0.48
▸ MME P08473 1/20 0.48
▸ SIGMAR1 Q99720 1/20 0.45
▸ KMT2A Q03164 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL8871191 0.94 ACE (0.53) ACEMME
SCHEMBL8870406 0.94 ACE (0.53) ACEMME
SCHEMBL8668741 0.94 ACE (0.53) ACEMME
SCHEMBL8870137 0.88 SIGMAR1 (0.50) ACEMMESIGMAR1KMT2AL3MBTL1
SCHEMBL8870127 0.88 SIGMAR1 (0.50) ACEMMESIGMAR1KMT2AL3MBTL1
SCHEMBL8869883 0.86 ACE (0.43) ACEMMESIGMAR1
SCHEMBL8869892 0.86 ACE (0.43) ACEMMESIGMAR1
SCHEMBL8870712 0.80 MME (0.42) ACEMMESIGMAR1
SCHEMBL8870704 0.80 MME (0.42) ACEMMESIGMAR1
SCHEMBL8668739 0.80 ACE (0.47) ACESIGMAR1KMT2AL3MBTL1

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-5610144-A CHOLECYSTOKININ OR GASTRIN ANTAGONISTS; NERVOUS SYSTEM AND GASTROINTESTINAL DISORDERS RHONE-POULENC RORER S.A. (FR) 1997-03-11 — — US disclosed
Send feedback