SCHEMBL11612902

SCHEMBL11612902

C#CC(N)(Cc1ncc(CC)[nH]1)C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 1/20 0.34
BRS3 P32247 9/20 0.33
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL11614836 0.91 HCAR2 (0.35) DGAT1BRS3
SCHEMBL11612335 0.88 BRS3 (0.42) BRS3
SCHEMBL11610937 0.87 DGAT1 (0.40) DGAT1BRS3
SCHEMBL11609298 0.84 BRS3 (0.35) DGAT1BRS3
SCHEMBL11609304 0.81 DGAT1 (0.35) DGAT1
SCHEMBL11612447 0.81
SCHEMBL11610981 0.80 MAPT (0.33) BRS3ALDH1A1
SCHEMBL11617465 0.78 BRS3 (0.39) BRS3
SCHEMBL11168542 0.77 ODC1 (0.36) DGAT1BRS3
SCHEMBL11161291 0.77 DGAT1 (0.34) DGAT1BRS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4103089-A ANTIHISTAMINES MERRELL TORAUDE ET COMPAGNIE (FR) 1978-07-25 US disclosed