SCHEMBL4448506

SCHEMBL4448506

O=C(NCC(F)(F)F)[C@@H]1C[C@H]1c1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 10/20 0.44
MAOB P27338 2/20 0.44
NPC1 O15118 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
DGAT1 O75907 1/20 0.40
CHRNA7 P36544 1/20 0.39
PTPN1 P18031 1/20 0.39
PTPN6 P29350 1/20 0.39
PTPN11 Q06124 1/20 0.39
APOL1 O14791 1/20 0.39
TRPA1 O75762 2/20 0.39
SIGMAR1 Q99720 1/20 0.38
DGAT2 Q96PD7 1/20 0.38
ULK1 O75385 1/20 0.37

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
SCHEMBL4556608 1.00 KDM1A (0.44) KDM1AMAOBNPC1RXFP1DGAT1
SCHEMBL16142526 1.00 KDM1A (0.44) KDM1AMAOBNPC1RXFP1DGAT1
SCHEMBL13550257 0.86 KDM1A (0.43) KDM1AMAOBNPC1RXFP1CHRNA7
SCHEMBL13550258 0.86 KDM1A (0.43) KDM1AMAOBNPC1RXFP1CHRNA7
SCHEMBL4605635 0.85 FAAH (0.47) KDM1AMAOBNPC1RXFP1PTPN1
SCHEMBL8453294 0.85 FAAH (0.47) KDM1AMAOBNPC1RXFP1PTPN1
SCHEMBL8470015 0.84 KDM1A (0.41) KDM1AMAOBNPC1RXFP1CHRNA7
SCHEMBL4442037 0.84 KDM1A (0.41) KDM1AMAOBNPC1RXFP1CHRNA7
SCHEMBL3609366 0.83 KDM1A (0.40) KDM1AMAOBNPC1RXFP1CHRNA7
SCHEMBL3609364 0.83 KDM1A (0.40) KDM1AMAOBNPC1RXFP1CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121612-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS Sanofi-Aventis (FR) 2009-11-25 EP disclosed
WO-2008080511-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-07-10 WO disclosed
WO-2008080511-A1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI-AVENTIS (FR) 2008-07-10 WO disclosed
EP-1942104-A1 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals sanofi-aventis (FR) 2008-07-09 EP disclosed
EP-1942104-A1 Heteroarylcyclopropanecarboxamides and their use as pharmaceuticals sanofi-aventis (FR) 2008-07-09 EP disclosed