SCHEMBL10909104

SCHEMBL10909104

N[C@H]1CCC2CCCCC2N(CC(=O)O)C1=O.[Na]

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 4/20 0.36
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MAPT P10636 1/20 0.33
APEX1 P27695 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.31
DPP4 P27487 1/20 0.30
HTT P42858 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
SCHEMBL7488263 0.98 ACE (0.36) ACESMN1; SMN2L3MBTL1CYP3A4TSHR
SCHEMBL7488258 0.98 ACE (0.36) ACESMN1; SMN2L3MBTL1CYP3A4TSHR
SCHEMBL10909099 0.97 ACE (0.36) ACESMN1; SMN2L3MBTL1CYP3A4TSHR
Hydrochloric Acid SCHEMBL10907399 0.97 ACE (0.36) ACESMN1; SMN2L3MBTL1CYP3A4TSHR
Hydrochloric Acid SCHEMBL10907401 0.97 ACE (0.36) ACESMN1; SMN2L3MBTL1CYP3A4TSHR
SCHEMBL7431415 0.94 ACE (0.37) ACESMN1; SMN2L3MBTL1CYP3A4TSHR
SCHEMBL7350198 0.92 ACE (0.36) ACESMN1; SMN2L3MBTL1CYP3A4TSHR
SCHEMBL10600817 0.92 ACE (0.36) ACESMN1; SMN2L3MBTL1CYP3A4TSHR
SCHEMBL7350203 0.92 ACE (0.36) ACESMN1; SMN2L3MBTL1CYP3A4TSHR
SCHEMBL10909102 0.85 CYP3A4 (0.33) CYP3A4TSHRTDP1MAPTAPEX1

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
US-4575503-A ANGIOTENSIN CONVERTING ENZYME INHIBITOR, HYPOTENSIVE CIBA-GEIGY CORPORATION (US) 1986-03-11 US disclosed
US-4473575-A ANGIOTENSIN INHIBITORS, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1984-09-25 US disclosed
US-4410520-A ANGIOTENSION CONVERTING ENZYME INGIBITOR, HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1983-10-18 US disclosed