SCHEMBL6613974

SCHEMBL6613974

CC(C)(CNC(=O)c1ccc(Cl)cc1)CNC(=NC#N)Nc1cnc(Br)cc1F

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
KCNJ11 Q14654 10/20 0.39
GABRA5 P31644 3/20 0.37
S1PR3 Q99500 2/20 0.36
P2RX7 Q99572 1/20 0.36
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
GPR55 Q9Y2T6 1/20 0.35
ALDH1A1 P00352 1/20 0.34
POLB P06746 1/20 0.34
S1PR1 P21453 1/20 0.34

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
SCHEMBL6641670 0.84 KCNJ11 (0.45) KCNJ11
SCHEMBL6611475 0.84 KCNJ11 (0.43) NPC1RAB9AKCNJ11P2RX7LMNA
SCHEMBL7140862 0.83 KCNJ11 (0.55) NPC1RAB9AKCNJ11P2RX7MAPT
SCHEMBL5215333 0.82 KCNJ11 (0.44) NPC1RAB9AKCNJ11S1PR3P2RX7
SCHEMBL5215010 0.82 KCNJ11 (0.44) NPC1RAB9AKCNJ11S1PR3P2RX7
SCHEMBL6616240 0.82 KCNJ11 (0.39) KCNJ11GABRA5P2RX7LMNACYP1A2
SCHEMBL6644906 0.82 KCNJ11 (0.40) NPC1KCNJ11GABRA5P2RX7POLB
SCHEMBL6611088 0.82 KCNJ11 (0.46) NPC1RAB9AKCNJ11P2RX7MAPT
SCHEMBL6612871 0.81 KCNJ11 (0.42) KCNJ11GABRA5LMNACYP1A2CYP3A4
SCHEMBL6611989 0.80 SLC6A9 (0.41) NPC1RAB9AKCNJ11P2RX7LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2003506355-A 2003-02-18 JP 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