SCHEMBL4730665

SCHEMBL4730665

O=C(C=Cc1cccc(C(F)(F)F)c1)NCCc1cccc2ccccc12

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
LMNA P02545 1/20 0.53
HSP90AA1 P07900 1/20 0.53
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
KDM4E B2RXH2 1/20 0.51
TRPV1 Q8NER1 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MAOB P27338 1/20 0.49
HTT P42858 1/20 0.49
THRB P10828 1/20 0.49
MTNR1A P48039 2/20 0.49
MMP1 P03956 2/20 0.48
MMP2 P08253 2/20 0.48
MMP9 P14780 2/20 0.48
CCR2 P41597 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47

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
SCHEMBL2874457 0.79 MEN1 (0.44) MEN1KMT2ALMNAMAPTNPSR1
SCHEMBL2787298 0.79 MEN1 (0.44) MEN1KMT2ALMNAMAPTNPSR1
Hydrochloric Acid SCHEMBL2872916 0.78 MEN1 (0.43) MEN1KMT2ALMNATRPV1L3MBTL1
Hydrochloric Acid SCHEMBL2787295 0.78 MEN1 (0.43) MEN1KMT2ALMNATRPV1L3MBTL1
SCHEMBL1491274 0.76 NPC1 (0.56) TRPV1HTTMTNR1A
SCHEMBL31663470 0.76 NPC1 (0.56) TRPV1HTTMTNR1A
SCHEMBL16071013 0.75 MEN1 (0.64) MEN1KMT2ALMNAHSP90AA1MAPT
SCHEMBL2787141 0.74 MTNR1A (0.47) MEN1KMT2ALMNAHSP90AA1MAPT
SCHEMBL6813373 0.74 KDM4E (0.54) MEN1KMT2ALMNAHSP90AA1MAPT
SCHEMBL4732912 0.74 KDM4E (0.54) MEN1KMT2ALMNAHSP90AA1MAPT

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-2008035381-A2 PROCESS FOR THE PREPARATION OF AMINE DERIVATIVES AS CALCIMIMETICS IND-SWIFT LABORATORIES LIMITED (IN) 2008-03-27 WO disclosed