SCHEMBL18672452

SCHEMBL18672452

CCCC(C)c1cnc(N(CC)CC)cn1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 1/20 0.40

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
SCHEMBL18855190 0.86 GBA1 (0.42) GBA1
SCHEMBL18672449 0.85 AOC3 (0.30)
SCHEMBL179535 0.82 GBA1 (0.44) GBA1
SCHEMBL19727230 0.81 GBA1 (0.39) GBA1
SCHEMBL19420653 0.76 GBA1 (0.31) GBA1
SCHEMBL19440426 0.75 GBA1 (0.50) GBA1
SCHEMBL18672477 0.75 CYP11B1 (0.35) GBA1
SCHEMBL21509903 0.74 ALDH1A1 (0.31)
SCHEMBL14376626 0.74 NOS3 (0.33)
SCHEMBL18879242 0.73 GPR84 (0.33)

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-9655892-B2 Certain chemical entities, compositions and methods INTELLIKINE LLC (US) 2017-05-23 US disclosed
US-9605003-B2 Heterocyclic compounds and uses thereof INFINITY PHARMACEUTICALS, INC. (US) 2017-03-28 US disclosed