SCHEMBL13624927

SCHEMBL13624927

Cc1ccc([C@H](C)NCCC(=O)c2ccccc2F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTPN1 P18031 1/20 0.42
ERCC5 P28715 1/20 0.42
FEN1 P39748 1/20 0.42
POLB P06746 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42
CTNNB1 P35222 2/20 0.41
WNT3A P56704 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PKM P14618 1/20 0.40
KAT6A Q92794 1/20 0.40
DPP4 P27487 1/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39

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
SCHEMBL120004 0.88 LMNA (0.44) LMNAPTPN1ERCC5FEN1POLB
SCHEMBL120003 0.88 LMNA (0.44) LMNAPTPN1ERCC5FEN1POLB
SCHEMBL15979729 0.74 PKM (0.62) MEN1KMT2APTPN1ERCC5FEN1
SCHEMBL13517847 0.72 KMT2A (0.56) LMNAMEN1KMT2APTPN1POLB
SCHEMBL31320755 0.71 SIGMAR1 (0.63) LMNAMEN1KMT2AHTR1ASMN1; SMN2
SCHEMBL5478440 0.71 SMN1; SMN2 (0.53) LMNAMEN1KMT2AHTR1AHTR7
SCHEMBL5478444 0.71 SMN1; SMN2 (0.53) LMNAMEN1KMT2AHTR1AHTR7
SCHEMBL30089515 0.71 CTNNB1 (0.68) MEN1KMT2APTPN1ERCC5FEN1
Hydrochloric Acid SCHEMBL22828990 0.70 SIGMAR1 (0.61) LMNAMEN1KMT2AHTR1ASMN1; SMN2
SCHEMBL9775157 0.69 PTPN1 (0.57) LMNAMEN1KMT2APTPN1ERCC5

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-2009134400-A1 CYCLIC INHIBITORS OF 11BETA-HYDROXYSTEROID DEHYDROGENASE 1 VITAE PHARMACEUTICALS, INC. (US) 2009-11-05 WO disclosed