SCHEMBL7983151

SCHEMBL7983151

CCCCCC(=O)CCN1CCNCC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 1/20 0.51
HRH1 P35367 1/20 0.51
GNAO1 P09471 11/20 0.50
GNAI3 P08754 10/20 0.50
GNAI1 P63096 10/20 0.50
SIGMAR1 Q99720 2/20 0.45
MAPT P10636 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 1/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.41
FAAH O00519 1/20 0.41
NAAA Q02083 1/20 0.41
MEN1 O00255 1/20 0.40
TDP1 Q9NUW8 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
SCHEMBL27517098 0.85 POLB (0.58) SIGMAR1MAPTKMT2AALDH1A1POLB
SCHEMBL26833107 0.84 SIGMAR1 (0.54) HRH2HRH1GNAO1GNAI3GNAI1
SCHEMBL7983147 0.83 GNAI3 (0.54) HRH2HRH1GNAO1GNAI3GNAI1
Myristic Acid SCHEMBL30516888 0.80 GPR84 (0.55) GNAO1GNAI3GNAI1MAPTKMT2A
Dodecanoate SCHEMBL29051670 0.80 GPR84 (0.55) GNAO1GNAI3GNAI1MAPTKMT2A
SCHEMBL7932306 0.79 MAPT (0.44) HRH2HRH1GNAO1GNAI3GNAI1
SCHEMBL8524267 0.79 THRB (0.53) MAPTKMT2AALDH1A1
Water SCHEMBL27813121 0.78 THRB (0.52) MAPTKMT2AALDH1A1
Dodecanoate SCHEMBL28577977 0.78 GPR84 (0.52) HRH2HRH1GNAO1GNAI3GNAI1
Myristic Acid SCHEMBL29051786 0.78 GPR84 (0.52) HRH2HRH1GNAO1GNAI3GNAI1

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