SCHEMBL11551733

SCHEMBL11551733

O=C(O)[C@@H]1CCCN1C(=O)CSCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 13/20 0.60
▸ ACE2 Q9BYF1 3/20 0.60
▸ NPC1 O15118 3/20 0.51
▸ SMN1; SMN2 Q16637 3/20 0.51
▸ MAPT P10636 2/20 0.51
▸ RAB9A P51151 2/20 0.51
▸ ALDH1A1 P00352 2/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ NFKB1 P19838 1/20 0.49
▸ CASP3 P42574 1/20 0.49
▸ NFKB2 Q00653 1/20 0.49
▸ RELA Q04206 1/20 0.49
▸ SENP8 Q96LD8 1/20 0.49
▸ SENP7 Q9BQF6 1/20 0.49
▸ SENP6 Q9GZR1 1/20 0.49

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
SCHEMBL7386490 0.85 ACE (0.57) ACEACE2
SCHEMBL11548225 0.84 ACE (0.55) ACEACE2
SCHEMBL3144462 0.82 ACE (0.64) ACEACE2NPC1SMN1; SMN2
SCHEMBL5742165 0.82 ACE (0.64) ACEACE2NPC1SMN1; SMN2
SCHEMBL11547640 0.82 ACE (0.58) ACEACE2
SCHEMBL474618 0.81 ACE (0.60) ACEACE2SMN1; SMN2ALDH1A1
SCHEMBL474742 0.81 ACE (0.60) ACEACE2SMN1; SMN2ALDH1A1
SCHEMBL5742191 0.81 SMN1; SMN2 (0.52) ACEACE2SMN1; SMN2ALDH1A1
SCHEMBL5742195 0.81 SMN1; SMN2 (0.52) ACEACE2SMN1; SMN2ALDH1A1
SCHEMBL28650436 0.80 ACE (0.58) ACEACE2SMN1; SMN2ALDH1A1

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
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