SCHEMBL483470

SCHEMBL483470

C[C@@]1(C(=O)O)CCC(c2cccc(OCc3ccccc3)c2)=N1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.51
MRGPRX4 Q96LA9 1/20 0.48
NR4A2 P43354 2/20 0.47
NR1H4 Q96RI1 1/20 0.46
PTGER4 P35408 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BRD4 O60885 1/20 0.43
SMPD1 P17405 2/20 0.43
FFAR4 Q5NUL3 1/20 0.43
CFD P00746 1/20 0.43
DHODH Q02127 1/20 0.43
PTPN1 P18031 1/20 0.43
ERN1 O75460 1/20 0.43
HDAC4 P56524 1/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PKM P14618 1/20 0.43
SRD5A2 P31213 1/20 0.43

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
SCHEMBL310923 0.87 MAOB (0.48) MAOBNR4A2SMN1; SMN2FFAR4DHODH
SCHEMBL483622 0.87 MAOB (0.48) MAOBNR4A2SMN1; SMN2FFAR4DHODH
SCHEMBL17873367 0.87 MAOB (0.48) MAOBNR4A2SMN1; SMN2FFAR4DHODH
SCHEMBL483467 0.74 JAK2 (0.46) MAOBMRGPRX4NR4A2NR1H4SMPD1
SCHEMBL310304 0.74 MAOB (0.52) MAOBSMN1; SMN2
SCHEMBL2836867 0.73 MRGPRX4 (0.49) MAOBMRGPRX4NR4A2NR1H4SMN1; SMN2
SCHEMBL379281 0.72 MAOB (0.67) MAOBMRGPRX4NR4A2NR1H4FFAR4
SCHEMBL483664 0.71 MAOB (0.47) MAOBNR4A2SMN1; SMN2FFAR4DHODH
SCHEMBL16990090 0.71 TMPRSS15 (0.58) MAOBMRGPRX4NR4A2NR1H4KMT2A
SCHEMBL16990054 0.71 TMPRSS15 (0.58) MAOBMRGPRX4NR4A2NR1H4KMT2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8153623-B2 Compounds Convergence Pharmaceuticals Limited (GB) 2012-04-10 US disclosed
EP-1934176-B1 QUATERNARY ALPHA-AMINOCARBOXAMIDE DERIVATIVES AS MODULATORS OF VOLTAGE-GATED SODIUM CHANNELS GLAXO GROUP LTD (GB) 2012-02-01 EP disclosed