SCHEMBL8453602

SCHEMBL8453602

CC(C)(C)NC(=O)C1CC1c1ccc(-c2ccc(F)cc2)nc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 13/20 0.43
MAOB P27338 2/20 0.43
NPC1 O15118 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PTPN1 P18031 1/20 0.41
PTPN6 P29350 1/20 0.41
PTPN11 Q06124 1/20 0.41
GRIA2 P42262 1/20 0.39
BRS3 P32247 1/20 0.39
KCNH2 Q12809 1/20 0.39
ABL1 P00519 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL3601568 0.95 KDM1A (0.41) KDM1AMAOBNPC1RXFP1PTPN1
Trifluoroacetic Acid SCHEMBL3601567 0.95 KDM1A (0.41) KDM1AMAOBNPC1RXFP1PTPN1
SCHEMBL8446370 0.87 KDM1A (0.45) KDM1AMAOBNPC1RXFP1PTPN1
SCHEMBL13550257 0.84 KDM1A (0.43) KDM1AMAOBNPC1RXFP1PTPN1
SCHEMBL13550258 0.84 KDM1A (0.43) KDM1AMAOBNPC1RXFP1PTPN1
SCHEMBL4448506 0.82 KDM1A (0.44) KDM1AMAOBNPC1RXFP1PTPN1
SCHEMBL16142526 0.82 KDM1A (0.44) KDM1AMAOBNPC1RXFP1PTPN1
SCHEMBL4556608 0.82 KDM1A (0.44) KDM1AMAOBNPC1RXFP1PTPN1
SCHEMBL3600203 0.81 KDM1A (0.49) KDM1AMAOBNPC1RXFP1PTPN1
SCHEMBL3605976 0.81 KDM1A (0.49) KDM1AMAOBNPC1RXFP1PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121612-B1 HETEROARYLCYCLOPROPANECARBOXAMIDES AND THEIR USE AS PHARMACEUTICALS SANOFI SA (FR) 2014-10-01 EP 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