SCHEMBL9473545

SCHEMBL9473545

CCCCc1nc(C)c(CC(=O)N(c2ccc(C)s2)[C@@H](C)C(=O)O)n1-c1ccccc1Cl

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
SLC6A4 P31645 2/20 0.33
MME P08473 2/20 0.32
AGTR1 P30556 2/20 0.32
LMNA P02545 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32
PPARG P37231 1/20 0.32
KMT2A Q03164 1/20 0.32
NCOA2 Q15596 1/20 0.32
NCOA1 Q15788 1/20 0.32

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
SCHEMBL9856406 0.78
SCHEMBL9856774 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL6968208 0.73 TLR8 (0.45) ALDH1A1AGTR1LMNAHPGD
SCHEMBL9857429 0.72 SCN3A (0.44) KMT2A
SCHEMBL7216579 0.72 TLR8 (0.41) ALDH1A1HTR2AHTR2CSLC6A4LMNA
SCHEMBL7270215 0.71 AGTR1 (0.47) ALDH1A1AGTR1LMNAHPGD
Hydrochloric Acid SCHEMBL7631242 0.71 HTR2A (0.40) ALDH1A1HTR2AHTR2CSLC6A4LMNA
SCHEMBL9473536 0.70 BRS3 (0.33)
SCHEMBL9856773 0.69 ALDH1A1 (0.46) ALDH1A1HTR2AHTR2CSLC6A4LMNA
SCHEMBL9422754 0.67 NOTUM (0.44) ALDH1A1AGTR1PPARG

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-5234917-A Hypotensive agent, treatment of renal failure or glaucoma SMITHKLINE BEECHAM CORPORATION 1993-08-10 US disclosed
EP-0437103-A2 Substituted 5-(alkyl)carboxamide imidazoles SMITHKLINE BEECHAM CORPORATION (US) 1991-07-17 EP disclosed