SCHEMBL11544334

SCHEMBL11544334

O=C(O)[C@@H]1CCCN1C(=O)C(CS)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.58
LTA4H P09960 3/20 0.58
F2 P00734 2/20 0.58
KDM4E B2RXH2 1/20 0.58
REN P00797 1/20 0.58
LMNA P02545 1/20 0.58
MAPT P10636 1/20 0.58
PEPD P12955 1/20 0.58
ALOX15 P16050 1/20 0.58
PTGS1 P23219 1/20 0.58
HTR2A P28223 1/20 0.58
PTGS2 P35354 1/20 0.58
HRH1 P35367 1/20 0.58
THPO P40225 1/20 0.58
PMP22 Q01453 1/20 0.58
HSD17B10 Q99714 1/20 0.58
ACE2 Q9BYF1 1/20 0.58
ALDH1A1 P00352 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50

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
SCHEMBL10882570 0.86 ACE (0.52) ACELTA4HF2KDM4EREN
SCHEMBL11028736 0.86 ACE (0.55) ACELTA4HF2KDM4EREN
Captopril SCHEMBL4261341 0.82 ACE (0.67) ACELTA4HF2KDM4EREN
SCHEMBL6437305 0.80 ALDH1A1 (0.55) ACELTA4HF2RENALDH1A1
SCHEMBL6437308 0.80 ALDH1A1 (0.55) ACELTA4HF2RENALDH1A1
SCHEMBL8025699 0.79 ACE (0.76) ACELTA4HF2KDM4EREN
SCHEMBL7381708 0.79 ACE (0.76) ACELTA4HF2KDM4EREN
SCHEMBL5742878 0.79 CACNA1A (0.62) ACELTA4HALDH1A1SMN1; SMN2
SCHEMBL3238628 0.79 DPP4 (0.67) ACELTA4HF2KDM4EREN
SCHEMBL9362237 0.79 ACE (0.55) ACELTA4HF2KDM4EREN

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-4154840-A Antihypertensive pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4105776-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS, HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1978-08-08 US disclosed