SCHEMBL11244592

SCHEMBL11244592

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

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 1/20 0.54
SLC6A11 P48066 1/20 0.54
ACE P12821 11/20 0.51
CHRM2 P08172 1/20 0.51
CHRM4 P08173 1/20 0.51
CHRM1 P11229 1/20 0.51
CHRM3 P20309 1/20 0.51
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ACE2 Q9BYF1 2/20 0.47

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
SCHEMBL11350675 0.83 SLC6A1 (0.43) SLC6A1SLC6A11ACECHRM2CHRM4
SCHEMBL11237562 0.80 ACE (0.53) ACEALDH1A1ACE2
SCHEMBL11498306 0.80 ACE (0.53) ACEALDH1A1ACE2
SCHEMBL11547640 0.79 ACE (0.58) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL11550932 0.79 ACE (0.58) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL7373956 0.79 KMT2A (0.65) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL11548414 0.79 ACE (0.52) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL11546730 0.77 ACE (0.54) ACEACE2
SCHEMBL30836847 0.77 NPC1 (0.57) SLC6A1SLC6A11ALDH1A1SMN1; SMN2
SCHEMBL30836852 0.77 NPC1 (0.57) SLC6A1SLC6A11ALDH1A1SMN1; SMN2

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
US-4350628-A OXIDATIVE DEHYDROGENATION WITH A BENZOQUINONE RESEARCH CORPORATION (US) 1982-09-21 US disclosed
US-4283328-A TREATING AN N-BLOCKED AMINO ACID RESIDUE WITH A TETRAMETHYL GUANIDINIUM SALT OF A PEPTIDE CHAIN RESEARCH CORPORATION (US) 1981-08-11 US disclosed
US-4261884-A DESIRABLE BIOLOGICAL PROPERTIES AND STABILITY TO ENZYME CLEAVAGE RESEARCH CORPORATION (US) 1981-04-14 US disclosed
EP-0010830-A2 Dehydropeptides Research Corporation (US) 1980-05-14 EP disclosed
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