SCHEMBL6721633

SCHEMBL6721633

FC(F)(F)c1ccc(C[N]Cc2ccc(C#Cc3ccc(OCc4ccccc4)cc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOB P27338 10/20 0.55
AR P10275 1/20 0.51
MRGPRX4 Q96LA9 1/20 0.49
MAOA P21397 2/20 0.48
PTPN1 P18031 2/20 0.46
PTPN6 P29350 2/20 0.46
PTPN11 Q06124 2/20 0.46
PTPRC P08575 1/20 0.46
PTPN2 P17706 1/20 0.46
PTPRB P23467 1/20 0.46
CDC25A P30304 1/20 0.46
FFAR1 O14842 2/20 0.45
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL1854031 0.85 BCHE (0.66) MAOBAR
SCHEMBL255002 0.84 MAOB (0.69) MAOBARMRGPRX4MAOAPTPN1
SCHEMBL5041015 0.82 MAOB (0.50) MAOBARMRGPRX4PTPN1PTPN6
SCHEMBL1850966 0.81 L3MBTL1 (0.62) MAOBARMRGPRX4HRH3
SCHEMBL2873573 0.81 MAOB (0.69) MAOBARMRGPRX4PTPN1PTPN6
SCHEMBL1854030 0.80 MAOB (0.50) MAOBARMRGPRX4FFAR1
Ammonia Solution, Strong SCHEMBL6903652 0.79 MAOB (0.67) MAOBARMRGPRX4MAOAPTPN1
SCHEMBL14786201 0.79 MAOB (0.71) MAOBMAOAPTPN1PTPN6PTPN11
SCHEMBL6717178 0.78 RAB9A (0.67) MAOBARMRGPRX4
SCHEMBL1854045 0.78 MAOB (0.50) MAOBARMRGPRX4PTPN1PTPN6

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
EP-1470102-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) Applied Research Systems ARS Holding N.V. (AN) 2004-10-27 EP disclosed
WO-2003064376-A1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2003-08-07 WO disclosed