SCHEMBL7363333

SCHEMBL7363333

N#CNC(=NC1(c2ccccc2)CCC1)Nc1cnc(Cl)c(N)c1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPKAPK2 P49137 2/20 0.40
P2RX7 Q99572 3/20 0.39
KCNJ11 Q14654 6/20 0.34
HDAC3 O15379 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
ABCC9 O60706 1/20 0.31
ALDH1A1 P00352 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
TDP1 Q9NUW8 1/20 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 0.83 P2RX7 (0.41) MAPKAPK2P2RX7KCNJ11HDAC3NCOR2
SCHEMBL7362660 0.82 P2RX7 (0.41) MAPKAPK2P2RX7KCNJ11ABCC9
SCHEMBL7363331 0.78 VNN1 (0.35) MAPKAPK2HDAC3NCOR2ALDH1A1NPSR1
SCHEMBL7363327 0.78 VNN1 (0.35) MAPKAPK2HDAC3NCOR2ALDH1A1NPSR1
SCHEMBL7359977 0.77 P2RX7 (0.39) P2RX7KCNJ11ABCC9ALDH1A1
SCHEMBL7357922 0.77 P2RX7 (0.51) P2RX7KCNJ11ABCC9ALDH1A1
SCHEMBL7354769 0.74 P2RX7 (0.38) MAPKAPK2P2RX7KCNJ11ABCC9
SCHEMBL7348979 0.72 ABCC9 (0.49) P2RX7KCNJ11ABCC9ALDH1A1
SCHEMBL7357699 0.71 P2RX7 (0.35) MAPKAPK2P2RX7KCNJ11ABCC9
SCHEMBL7361546 0.69 P2RX7 (0.40) P2RX7KCNJ11

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