SCHEMBL7434665

SCHEMBL7434665

NCCCC[C@H](NC(=O)[C@H](CCCN)CSN=O)C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 1/20 0.47
CPB2 Q96IY4 11/20 0.40
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
SLC15A2 Q16348 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
ECE1 P42892 1/20 0.38
GSR P00390 1/20 0.36
PDF Q9HBH1 1/20 0.35

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
SCHEMBL7434672 1.00 FOLH1 (0.47) FOLH1CPB2CA1CA2SLC15A2
SCHEMBL7434568 0.89 TGFBR1 (0.41) FOLH1CPB2CA1CA2
SCHEMBL7434561 0.89 TGFBR1 (0.41) FOLH1CPB2CA1CA2
SCHEMBL8938584 0.88 FOLH1 (0.41) FOLH1CPB2CA1CA2ECE1
SCHEMBL8938592 0.88 FOLH1 (0.41) FOLH1CPB2CA1CA2ECE1
SCHEMBL8938649 0.87 FNTA (0.43)
SCHEMBL8938646 0.87 FNTA (0.43)
SCHEMBL7431705 0.86 FOLH1 (0.41) FOLH1
SCHEMBL7431713 0.86 FOLH1 (0.41) FOLH1
SCHEMBL10480620 0.86 FNTA (0.35) FOLH1CPB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1989012627-A1 S-NITROSO DERIVATIVES OF ACE INHIBITORS AND THE USE THEREOF BRIGHAM AND WOMEN'S HOSPITAL (US) 1989-12-28 WO claimed
US-5536723-A VASODILATORS BRIGHAM & WOMEN'S HOSPITAL (US) 1996-07-16 US disclosed
US-5356890-A Angiotensin converting enzyme BRIGHAM AND WOMEN'S HOSPITAL (US) 1994-10-18 US disclosed
US-5187183-A Cardiovascular-renal disease; anticoagulants, hypotensive agents; vasodilators; pregnancy toxemia; sclerodema; angiotensin-converting-enzyme inhibitors BRIGHAM & WOMEN'S HOSPITAL (US) 1993-02-16 US disclosed
US-5025001-A S-nitroso derivatives of ACE inhibitors and the use thereof BRIGHAM AND WOMEN'S HOSPITAL (US) 1991-06-18 US disclosed
WO-1989012627-A1 S-NITROSO DERIVATIVES OF ACE INHIBITORS AND THE USE THEREOF BRIGHAM AND WOMEN'S HOSPITAL (US) 1989-12-28 WO disclosed