SCHEMBL21767182

SCHEMBL21767182

C#C[C@H](O)[C@H](C)n1cc(C)cn1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 1/20 0.33
ACHE P22303 2/20 0.33

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
SCHEMBL18246269 0.80 NOS1 (0.38) NOS1ACHE
SCHEMBL18246168 0.80 NOS1 (0.38) NOS1ACHE
SCHEMBL28456407 0.80 NOS1 (0.38) NOS1ACHE
SCHEMBL18245797 0.80 NOS1 (0.38) NOS1ACHE
SCHEMBL18247281 0.80 NOS1 (0.38) NOS1ACHE
SCHEMBL15703055 0.75 NOS1 (0.36) NOS1ACHE
SCHEMBL179278 0.75
SCHEMBL24023949 0.67
SCHEMBL22083524 0.67
SCHEMBL21850519 0.67 MAP4K1 (0.34) NOS1

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
EP-3300500-B1 TRIAZOLE AGONISTS OF THE APJ RECEPTOR AMGEN INC (US) 2020-02-26 EP disclosed