SCHEMBL6611989

SCHEMBL6611989

CC(C)(CNC(=O)c1ccc(Cl)cc1)CNC(=NC#N)Nc1cc(F)cc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A9 P48067 4/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
RAPGEF3 O95398 2/20 0.40
RAPGEF4 Q8WZA2 2/20 0.40
SLC6A5 Q9Y345 1/20 0.39
KCNJ11 Q14654 4/20 0.39
CYP1A2 P05177 2/20 0.39
CYP2C19 P33261 2/20 0.39
LMNA P02545 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
P2RX1 P51575 1/20 0.37

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
SCHEMBL7742482 0.91 MEN1 (0.52) MEN1KMT2AKCNJ11LMNAMAPT
SCHEMBL6611475 0.86 KCNJ11 (0.43) MEN1KMT2AKCNJ11CYP1A2CYP2C19
SCHEMBL7736656 0.86 POLB (0.43) MEN1KMT2ARAPGEF3RAPGEF4KCNJ11
SCHEMBL6641043 0.84 KCNJ11 (0.47) KCNJ11CYP2C9ABCC9ABCC8KCNJ8
SCHEMBL6611355 0.84 KCNJ11 (0.42) MEN1KMT2AKCNJ11CYP1A2CYP2C19
SCHEMBL7145794 0.84 KCNJ11 (0.44) KCNJ11ABCC9ABCC8KCNJ8
SCHEMBL6612989 0.84 RXFP1 (0.52) MEN1KMT2ACYP2C19LMNACYP3A4
SCHEMBL7140862 0.83 KCNJ11 (0.55) MEN1KMT2AKCNJ11MAPTALDH1A1
SCHEMBL7140044 0.82 NPC1 (0.41) MEN1KMT2ACYP1A2CYP2C19CYP3A4
SCHEMBL6612213 0.82 KCNJ11 (0.57) KMT2AKCNJ11ABCC9ABCC8KCNJ8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP claimed
JP-2003506355-A 2003-02-18 JP claimed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO claimed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP claimed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO claimed
EP-1392655-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2004-03-03 EP disclosed
WO-2002062762-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2002-08-15 WO disclosed
EP-1198456-A2 POTASSIUM CHANNEL OPENERS Abbott Laboratories (US) 2002-04-24 EP disclosed
WO-2001009096-A2 POTASSIUM CHANNEL OPENERS ABBOTT LABORATORIES (US) 2001-02-08 WO disclosed