SCHEMBL18210795

SCHEMBL18210795

C#CC[C@@H](C(=O)O)[C@H](O)c1cnc(Cl)c(C)c1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SLC22A12 Q96S37 1/20 0.31

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
SCHEMBL18017404 0.88
SCHEMBL21278569 0.80
SCHEMBL18210797 0.79
SCHEMBL18210796 0.74 IDH1 (0.35)
SCHEMBL21278563 0.70
SCHEMBL16751966 0.69 ALDH1A1 (0.35)
SCHEMBL13859196 0.67 CHRNB2 (0.33)
SCHEMBL12302670 0.65 MEN1 (0.41)
SCHEMBL427869 0.64 HCAR2 (0.47) SLC22A12
SCHEMBL12190544 0.63 LMNA (0.34)

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-9486448-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed
US-9486448-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2016-11-08 US disclosed