SCHEMBL7354769

SCHEMBL7354769

N#CNC(=NC1(c2ccccc2)CCC1)Nc1ccc(NCCF)nc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 6/20 0.38
KCNJ11 Q14654 3/20 0.33
MAPKAPK2 P49137 1/20 0.33
DGAT1 O75907 1/20 0.32
NAMPT P43490 2/20 0.32
QPCT Q16769 2/20 0.32
ABCC9 O60706 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
KMT2A Q03164 1/20 0.31
ABCC8 Q09428 1/20 0.31
KCNJ8 Q15842 1/20 0.31
HDAC1 Q13547 1/20 0.31
APP P05067 2/20 0.30

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
SCHEMBL7358026 0.82 P2RX7 (0.41) P2RX7KCNJ11MAPKAPK2NAMPTQPCT
SCHEMBL8619031 0.79 HDAC3 (0.33) DGAT1NAMPTHDAC1APP
SCHEMBL7354766 0.79 HDAC3 (0.33) DGAT1NAMPTHDAC1APP
SCHEMBL7357922 0.77 P2RX7 (0.51) P2RX7KCNJ11NAMPTABCC9MEN1
SCHEMBL8620026 0.76 HRH4 (0.50) P2RX7NAMPTQPCT
SCHEMBL8619795 0.75 KCNJ11 (0.41) P2RX7KCNJ11DGAT1QPCTABCC9
SCHEMBL7363333 0.74 MAPKAPK2 (0.40) P2RX7KCNJ11MAPKAPK2ABCC9
SCHEMBL8623172 0.73 MEN1 (0.31) DGAT1MEN1KMT2A
SCHEMBL7362660 0.73 P2RX7 (0.41) P2RX7KCNJ11MAPKAPK2NAMPTQPCT
SCHEMBL7359977 0.71 P2RX7 (0.39) P2RX7KCNJ11NAMPTABCC9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0741708-B1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS UPJOHN CO (US) 1998-05-20 EP claimed
US-5668157-A Cyanoguanidines as K-channel blockers PHARMACIA & UPJOHN COMPANY (US) 1997-09-16 US claimed
EP-0741708-A1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS PHARMACIA & UPJOHN COMPANY (US) 1996-11-13 EP claimed
WO-1995020579-A1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS PHARMACIA & UPJOHN COMPANY (US) 1995-08-03 WO claimed
EP-0741708-B1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS UPJOHN CO (US) 1998-05-20 EP disclosed
US-5668157-A Cyanoguanidines as K-channel blockers PHARMACIA & UPJOHN COMPANY (US) 1997-09-16 US disclosed