SCHEMBL1854030

SCHEMBL1854030

[NH]C(Cc1ccc(C#Cc2ccc(OCc3ccccc3)cc2)cc1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.50
FFAR1 O14842 4/20 0.47
PPARG P37231 2/20 0.46
AR P10275 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
PPARA Q07869 1/20 0.43
LTA4H P09960 1/20 0.42
GPR34 Q9UPC5 1/20 0.42

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
SCHEMBL1857046 0.81 FFAR1 (0.47) MAOBFFAR1PPARGARMRGPRX4
SCHEMBL6721633 0.80 MAOB (0.55) MAOBFFAR1ARMRGPRX4
SCHEMBL5039923 0.80 ACACB (0.45) MAOBFFAR1PPARG
SCHEMBL1854031 0.79 BCHE (0.66) MAOBARPPARA
SCHEMBL5041015 0.79 MAOB (0.50) MAOBFFAR1ARMRGPRX4
SCHEMBL255002 0.78 MAOB (0.69) MAOBARMRGPRX4
SCHEMBL1850966 0.75 L3MBTL1 (0.62) MAOBARMRGPRX4
SCHEMBL2873573 0.75 MAOB (0.69) MAOBARMRGPRX4
Ammonia Solution, Strong SCHEMBL6903652 0.73 MAOB (0.67) MAOBARMRGPRX4
SCHEMBL14786201 0.73 MAOB (0.71) MAOBFFAR1LTA4H

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
EP-1470102-B1 SUBSTITUTED METHYLENE AMIDE DERIVATIVES AS MODULATORS OF PROTEIN TYROSINE PHOSPHATASES (PTPS) MERCK SERONO SA (CH) 2011-05-25 EP disclosed