SCHEMBL3145935

SCHEMBL3145935

O=C(O)NCC1(CNc2cncc(Br)c2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.37
HCAR2 Q8TDS4 1/20 0.37
KDM4E B2RXH2 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
HTT P42858 2/20 0.35
CXCR3 P49682 1/20 0.35
PHF13 Q86YI8 1/20 0.34
L3MBTL3 Q96JM7 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
HDAC4 P56524 1/20 0.34
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
ALOX15 P16050 1/20 0.33
CASP3 P42574 1/20 0.33
GAA P10253 1/20 0.33
HPGD P15428 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL3154902 0.79 SYK (0.34)
SCHEMBL3156236 0.78 ALDH1A1 (0.33) KMT2AHTTALDH1A1GAA
SCHEMBL3773545 0.78 SMN1; SMN2 (0.33) POLBHCAR2KDM4ESMN1; SMN2HTT
SCHEMBL15206492 0.77 PRKAB2 (0.43) POLBHCAR2KDM4ESMN1; SMN2MEN1
SCHEMBL3151479 0.76 NPC1 (0.39) POLBHCAR2KDM4ESMN1; SMN2HTT
SCHEMBL22347350 0.76 POLB (0.37) POLBHCAR2KDM4ESMN1; SMN2MEN1
SCHEMBL4821912 0.76 FPR2 (0.39) KMT2AALDH1A1
SCHEMBL3147244 0.75 HTT (0.35) POLBHCAR2KDM4ESMN1; SMN2MEN1
SCHEMBL3145942 0.74 HTT (0.38) POLBHCAR2KDM4ESMN1; SMN2MEN1
SCHEMBL3154934 0.74 KDM4E (0.39) POLBHCAR2KDM4ESMN1; SMN2HTT

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-1979321-B9 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2010-02-17 EP disclosed
EP-1979321-B1 NOVEL PYRIDINYLAMINOALKYLENE- AND PYRIDINYLOXYALKYLENE-CYCLOPROPANAMINES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM SERVIER LAB (FR) 2009-07-29 EP disclosed