SCHEMBL5429317

SCHEMBL5429317

NC(=O)C(Cc1ccccc1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.55
KMT2A Q03164 4/20 0.55
ATM Q13315 3/20 0.55
CACNA1B Q00975 2/20 0.55
RAB9A P51151 1/20 0.55
CACNA2D1 P54289 1/20 0.55
CACNB1 Q02641 1/20 0.55
CACNA1C Q13936 1/20 0.55
DPP8 Q6V1X1 3/20 0.47
DPP7 Q9UHL4 2/20 0.47
FAP Q12884 1/20 0.47
DPP9 Q86TI2 1/20 0.47
OPRM1 P35372 3/20 0.47
OPRD1 P41143 2/20 0.47
OPRK1 P41145 2/20 0.47
OPRL1 P41146 1/20 0.47
PLAU P00749 2/20 0.47
PLAUR Q03405 2/20 0.47
LMNA P02545 4/20 0.46
CYP2D6 P10635 2/20 0.46

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
SCHEMBL7391221 0.80 DPP8 (0.62) MEN1KMT2AATMCACNA1BCACNA2D1
SCHEMBL7391223 0.80 DPP8 (0.62) MEN1KMT2AATMCACNA1BCACNA2D1
SCHEMBL12487367 0.79 RAB9A (0.59) MEN1KMT2ARAB9APLAUPLAUR
SCHEMBL6192045 0.78 RAB9A (0.62) MEN1KMT2ARAB9APLAUPLAUR
SCHEMBL5321539 0.77 ALDH1A1 (0.58) MEN1KMT2AATMPLAUPLAUR
SCHEMBL11251072 0.75 SLC6A4 (0.55) RAB9AOPRD1PLAUPLAURLMNA
SCHEMBL4776945 0.75 DPP8 (0.59) MEN1KMT2AATMCACNA1BCACNA2D1
SCHEMBL5322283 0.75 MAOB (0.55) MEN1KMT2APLAUPLAURLMNA
SCHEMBL2293693 0.74 CACNA1C (0.69) MEN1KMT2AATMCACNA1BCACNA2D1
SCHEMBL28249019 0.74 RECQL (0.55) MEN1KMT2ARAB9AHTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007096251-A1 INHIBITORS OF CPT IN THE CENTRAL NERVOUS SYSTEM AS ANTIDIABETIC AND/OR ANTI-OBESITY DRUGS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-08-30 WO claimed
WO-2007096251-A1 INHIBITORS OF CPT IN THE CENTRAL NERVOUS SYSTEM AS ANTIDIABETIC AND/OR ANTI-OBESITY DRUGS SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2007-08-30 WO disclosed