SCHEMBL7983147

SCHEMBL7983147

CCCCCCC(=O)CN1CCNCC1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 7/20 0.54
GNAO1 P09471 7/20 0.54
GNAI1 P63096 7/20 0.54
SIGMAR1 Q99720 3/20 0.53
HRH2 P25021 1/20 0.45
HRH1 P35367 1/20 0.45
MAPT P10636 1/20 0.44
KMT2A Q03164 1/20 0.44
FAAH O00519 1/20 0.44
NAAA Q02083 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM3 P20309 1/20 0.44
CES2 O00748 3/20 0.41
CES1 P23141 3/20 0.41
HAO1 Q9UJM8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL26833107 0.98 SIGMAR1 (0.54) GNAI3GNAO1GNAI1SIGMAR1HRH2
SCHEMBL2762291 0.85 SIGMAR1 (0.50) GNAI3GNAO1GNAI1SIGMAR1HRH2
SCHEMBL7983151 0.83 HRH2 (0.51) GNAI3GNAO1GNAI1SIGMAR1HRH2
SCHEMBL29790173 0.82 L3MBTL1 (0.55) MAPTKMT2ACES2CES1HAO1
SCHEMBL1144527 0.82 L3MBTL1 (0.47) MAPTKMT2ACES2CES1HAO1
Hydrochloric Acid SCHEMBL5617485 0.81 CHRM5 (0.39) GNAI3GNAO1GNAI1SIGMAR1KMT2A
SCHEMBL1666993 0.79 HSD17B10 (0.47) MAPTKMT2ANAAA
SCHEMBL14198493 0.79 HSD17B10 (0.47) MAPTKMT2ANAAA
SCHEMBL14198492 0.79 HSD17B10 (0.47) MAPTKMT2ANAAA
SCHEMBL8524266 0.79 HSD17B10 (0.47) MAPTKMT2ANAAA

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
WO-2001007431-A2 BENZOTHIOPHENE DERIVATIVES ELI LILLY AND COMPANY (US) 2001-02-01 WO disclosed