SCHEMBL7362660

SCHEMBL7362660

N#CNC(=NC1(c2ccccc2)CCC1)Nc1cncc(N)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 4/20 0.41
MAPKAPK2 P49137 1/20 0.35
KCNJ11 Q14654 4/20 0.34
NAMPT P43490 3/20 0.34
ABCC9 O60706 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 1/20 0.34
ABCC8 Q09428 1/20 0.34
KCNJ8 Q15842 1/20 0.34
TBXA2R P21731 5/20 0.33
TBXAS1 P24557 5/20 0.33
IMPDH2 P12268 1/20 0.32
QPCT Q16769 2/20 0.32

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
SCHEMBL7359977 0.85 P2RX7 (0.39) P2RX7KCNJ11NAMPTABCC9MEN1
SCHEMBL7357922 0.84 P2RX7 (0.51) P2RX7KCNJ11NAMPTABCC9MEN1
SCHEMBL7363333 0.82 MAPKAPK2 (0.40) P2RX7MAPKAPK2KCNJ11ABCC9
SCHEMBL7358026 0.82 P2RX7 (0.41) P2RX7MAPKAPK2KCNJ11NAMPTABCC9
SCHEMBL7362655 0.77 VNN1 (0.34) NAMPT
SCHEMBL7362657 0.77 VNN1 (0.34) NAMPT
SCHEMBL7348979 0.74 ABCC9 (0.49) P2RX7KCNJ11NAMPTABCC9MEN1
SCHEMBL7357699 0.74 P2RX7 (0.35) P2RX7MAPKAPK2KCNJ11ABCC9CYP3A4
SCHEMBL7354769 0.73 P2RX7 (0.38) P2RX7MAPKAPK2KCNJ11NAMPTABCC9
SCHEMBL7354876 0.73 P2RX7 (0.51) 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 8 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
EP-0741708-A1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS PHARMACIA & UPJOHN COMPANY (US) 1996-11-13 EP disclosed
WO-1995020579-A1 CYANOGUANIDINES AS K-CHANNEL BLOCKERS PHARMACIA & UPJOHN COMPANY (US) 1995-08-03 WO disclosed