SCHEMBL9541947

SCHEMBL9541947

CC1(N)CC1(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A3 Q01959 4/20 0.38
CCR2 P41597 1/20 0.37
RECQL P46063 1/20 0.36
SLC6A4 P31645 2/20 0.35
SLC6A2 P23975 2/20 0.35
KDM1A O60341 2/20 0.35
RCOR1 Q9UKL0 2/20 0.35
CHRNA1 P02708 1/20 0.35
CHRNG P07510 1/20 0.35
CHRNB1 P11230 1/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
CHRND Q07001 1/20 0.35
ACHE P22303 1/20 0.35
NFE2L2 Q16236 1/20 0.32
IDO1 P14902 1/20 0.32

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
SCHEMBL9541911 0.76 MEN1 (0.46) MAOBMAOAKDM1A
SCHEMBL21131147 0.73 MAOB (0.43) MAOBMAOASLC6A3CCR2RECQL
SCHEMBL15996618 0.71 MAOB (0.41) MAOBMAOASLC6A3CCR2RECQL
SCHEMBL10468941 0.71 MAOB (0.34) MAOBMAOASLC6A3CCR2RECQL
SCHEMBL22369862 0.70 MAOB (0.45) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL15042303 0.70 MAOB (0.36) MAOBMAOASLC6A3CCR2RECQL
SCHEMBL56590 0.69 MAOB (0.48) MAOBMAOASLC6A3
SCHEMBL9230998 0.69 MAOB (0.43) MAOBMAOASLC6A3CCR2RECQL
SCHEMBL17007850 0.67 SLC6A3 (0.41) MAOBMAOASLC6A3SLC6A4SLC6A2
SCHEMBL3067375 0.67 MAOB (0.52) MAOBMAOASLC6A3CCR2SLC6A2

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
WO-1993015100-A1 NOVEL ADENOSINE DERIVATIVES, THEIR PREPARATION METHODS AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRES UPSA (FR) 1993-08-05 WO disclosed