SCHEMBL11560702

SCHEMBL11560702

NC(=O)C(Cc1ccccc1)C(=O)OC(=O)[C@@H]1CCCN1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSC P53634 3/20 0.48
HTR2C P28335 1/20 0.42
HTR2B P41595 1/20 0.42
ELANE P08246 1/20 0.40
TSHR P16473 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
DPP4 P27487 3/20 0.37
DPP8 Q6V1X1 2/20 0.37
EPHX1 P07099 1/20 0.37
DPP9 Q86TI2 1/20 0.37
DPP7 Q9UHL4 1/20 0.37
ANPEP P15144 1/20 0.36
PPARG P37231 1/20 0.36

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
SCHEMBL11558863 0.91 CTSC (0.51) CTSCHTR2CHTR2BELANETSHR
SCHEMBL11558622 0.86 MMP8 (0.49) CTSCHTR2CHTR2BELANETSHR
SCHEMBL2478803 0.85 CTSC (0.50) CTSCHTR2CHTR2BELANETSHR
SCHEMBL3726266 0.85 CTSC (0.50) CTSCHTR2CHTR2BELANETSHR
SCHEMBL498386 0.85 CTSC (0.50) CTSCHTR2CHTR2BELANETSHR
SCHEMBL11557359 0.85 MMP8 (0.51) CTSCHTR2CHTR2B
SCHEMBL11558104 0.84 CTSC (0.47) CTSCHTR2CHTR2BELANETSHR
SCHEMBL11557590 0.82 CTSC (0.45) CTSCHTR2CHTR2BELANETSHR
SCHEMBL7381712 0.81 CTSC (0.48) CTSCHTR2CHTR2BELANE
SCHEMBL11556969 0.81 CPA1 (0.50) CTSCHTR2CHTR2BELANETSHR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4154937-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1979-05-15 US disclosed
US-4128653-A Reduction of blood pressure with carboxyalkylacyl-pipecolic acid derivatives E. R. SQUIBB & SONS, INC. (US) 1978-12-05 US disclosed
US-4086338-A HYPOTENSIVE AGENTS, ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1978-04-25 US disclosed
US-4052511-A ANGIOTENSIN CONVERTING ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1977-10-04 US disclosed