SCHEMBL5377366

SCHEMBL5377366

NCCc1c(OB(O)Oc2ccccc2)ccc(OB(O)Oc2ccccc2)c1CCN

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 1/20 0.41
TAAR1 Q96RJ0 4/20 0.36
CYP2A6 P11509 1/20 0.35
HTR2A P28223 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
IL1R1 P14778 1/20 0.33
DPP4 P27487 1/20 0.33
LTA4H P09960 1/20 0.33
PLA2G2A P14555 1/20 0.33
SCN9A Q15858 1/20 0.32

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
Monoethanolamine SCHEMBL4159313 0.78 ALDH1A1 (0.43) HRH1TAAR1CYP2A6HTR2ASMN1; SMN2
SCHEMBL6229390 0.75 KDM4E (0.56) HRH1TAAR1SMN1; SMN2LTA4HPLA2G2A
SCHEMBL1878004 0.75 CA1 (0.46) LTA4H
SCHEMBL9443206 0.73 CA1 (0.44) LTA4H
SCHEMBL7065793 0.73 CA2 (0.43) SMN1; SMN2LTA4H
SCHEMBL14686024 0.72 ALDH1A1 (0.42) SMN1; SMN2
SCHEMBL9443233 0.71 CA1 (0.43) LTA4H
SCHEMBL9443046 0.71 CA1 (0.43) LTA4H
Ammonia Solution, Strong SCHEMBL9443078 0.71 CA1 (0.43) LTA4H
SCHEMBL27607789 0.71 TAAR1 (0.39) HRH1TAAR1LTA4HPLA2G2A

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
US-7217701-B2 Intracellular calcium concentration increase inhibitors KATSUHIKO MIKOSHIBA (JP) 2007-05-15 US disclosed