SCHEMBL7409731

SCHEMBL7409731

C[C@H](NC(COCc1ccc(CNS(=O)(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)cc1)C(=O)O)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 4/20 0.47
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ TACR1 P25103 3/20 0.38
▸ SLC12A2 P55011 1/20 0.36
▸ SLC12A5 Q9H2X9 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
SCHEMBL7409739 1.00 ACE (0.47) ACELMNASMN1; SMN2POLBTDP1
SCHEMBL7410505 0.93 ACE (0.51) ACELMNASMN1; SMN2POLBTDP1
SCHEMBL7410513 0.93 ACE (0.51) ACELMNASMN1; SMN2POLBTDP1
SCHEMBL7408838 0.93 ACE (0.53) ACELMNASMN1; SMN2TACR1SLC12A2
SCHEMBL7408843 0.93 ACE (0.53) ACELMNASMN1; SMN2TACR1SLC12A2
SCHEMBL7414691 0.90 ACE (0.42) ACELMNASMN1; SMN2POLBTDP1
SCHEMBL7414703 0.90 ACE (0.42) ACELMNASMN1; SMN2POLBTDP1
SCHEMBL7418557 0.88 ACE (0.52) ACEPOLBTDP1L3MBTL1TACR1
SCHEMBL7418553 0.88 ACE (0.52) ACEPOLBTDP1L3MBTL1TACR1
SCHEMBL10991046 0.88 ACE (0.46) ACELMNAPOLBTDP1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4885293-A CARBOXYALKYL DIPEPTIDES SCHERING CORPORATION (US) 1989-12-05 — — US disclosed
US-4826816-A Antihypertensive compounds SCHERING CORPORATION (US) 1989-05-02 — — US disclosed
US-4556655-A TREATMENT OF CARDIOVASCULAR DISORDERS AND GLAUCOMA SCHERING CORPORATION (US) 1985-12-03 — — US disclosed
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