SCHEMBL29132272

SCHEMBL29132272

CCCCCC1(C)CNCCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.37
GNAO1 P09471 6/20 0.37
GNAI1 P63096 6/20 0.37
SIGMAR1 Q99720 2/20 0.33
CPB2 Q96IY4 1/20 0.32
FAAH O00519 1/20 0.32
NAAA Q02083 1/20 0.32
HSD17B10 Q99714 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
KMT2A Q03164 2/20 0.30
MEN1 O00255 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MAPT P10636 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
SCHEMBL20504486 0.95 HSD17B10 (0.35) GNAI3GNAO1GNAI1SIGMAR1HSD17B10
SCHEMBL18705871 0.89 GNAI3 (0.30) GNAI3GNAO1GNAI1
SCHEMBL27151672 0.89 GNAI3 (0.30) GNAI3GNAO1GNAI1
SCHEMBL18705869 0.89 GNAI3 (0.30) GNAI3GNAO1GNAI1
SCHEMBL14675613 0.81 GNAI3 (0.35) GNAI3GNAO1GNAI1SIGMAR1FAAH
SCHEMBL8817763 0.79 GNAI3 (0.35) GNAI3GNAO1GNAI1SIGMAR1HSD17B10
SCHEMBL13731667 0.76 MEN1 (0.31) KMT2AMEN1
SCHEMBL25181136 0.76 GNAI3 (0.33) GNAI3GNAO1GNAI1SIGMAR1
SCHEMBL28957202 0.74 GNAI3 (0.35) GNAI3GNAO1GNAI1SIGMAR1MAPT
SCHEMBL28895612 0.73

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-117321046-A Indazole-based compounds and related methods of use 阿维纳斯企业公司 2023-12-29 CN disclosed