SCHEMBL28068690

SCHEMBL28068690

CCCCCN1CCNCC1O

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 8/20 0.41
GBA2 Q9HCG7 13/20 0.39
GNAI3 P08754 3/20 0.39
GNAO1 P09471 3/20 0.39
GNAI1 P63096 3/20 0.39
GAA P10253 3/20 0.39
UGCG Q16739 1/20 0.38

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
SCHEMBL27827297 0.98 GBA1 (0.43) GBA1GBA2GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL27594553 0.97 GNAO1 (0.44) GBA1GBA2GNAI3GNAO1GNAI1
SCHEMBL28030708 0.95 GBA2 (0.40) GBA1GBA2GAAUGCG
Ammonia Solution, Strong SCHEMBL28822307 0.93 GBA2 (0.39) GBA1GBA2GAAUGCG
SCHEMBL17477707 0.87 GBA1 (0.37) GBA1GAA
SCHEMBL8219583 0.86 GBA2 (0.46) GBA1GBA2
SCHEMBL3103755 0.80 GNAO1 (0.40) GBA1GBA2GNAI3GNAO1GNAI1
SCHEMBL510279 0.79
SCHEMBL23921639 0.79 GNAO1 (0.42) GBA1GBA2GNAI3GNAO1GNAI1
SCHEMBL3106189 0.79 TAAR1 (0.45) GBA1GBA2GNAI3GNAO1GNAI1

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
CN-103265677-B The manufacture method of hydroxy alkyl triethylenediamine compounds and use its polyurethane resin catalyst for producing compositions 东曹株式会社 2016-06-08 CN disclosed