SCHEMBL11221980

SCHEMBL11221980

O=C(CCC(=O)N1CCC[C@H]1C(=O)O)c1ccc(Br)s1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACE P12821 9/20 0.47
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45
ACE2 Q9BYF1 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
GSK3B P49841 1/20 0.42
PREP P48147 1/20 0.42
FAP Q12884 1/20 0.42
PARP1 P09874 1/20 0.42
POLB P06746 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL11225841 0.85 MMP8 (0.48) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL11230999 0.81 ACE (0.54) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL11220898 0.80 ACE (0.40) ACE
SCHEMBL11158463 0.79 PREP (0.53) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL11153893 0.77 PREP (0.67) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL6782705 0.77 ACE (0.72) ACE
SCHEMBL6782701 0.77 ACE (0.72) ACE
SCHEMBL11221974 0.75
SCHEMBL11158699 0.73 KMT2A (0.55) ACECHRM2CHRM4CHRM1CHRM3
SCHEMBL11155524 0.73 HRH3 (0.55) ACEACE2PREPFAPPARP1

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-4342689-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1982-08-03 US disclosed
US-4342690-A HHYPOTENSIVE AGE TS AMERICAN CYANAMID COMPANY (US) 1982-08-03 US disclosed
US-4342691-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1982-08-03 US disclosed
US-4299769-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1981-11-10 US disclosed