SCHEMBL7361546

SCHEMBL7361546

CN(C)c1ncccc1NC(=NC1(c2ccccc2)CCC1)NC#N

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 18/20 0.40
HTT P42858 1/20 0.34
KCNJ11 Q14654 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
SCHEMBL7361542 0.78 HTT (0.34) P2RX7HTT
SCHEMBL7361539 0.78 HTT (0.34) P2RX7HTT
SCHEMBL7357922 0.75 P2RX7 (0.51) P2RX7KCNJ11
SCHEMBL8622511 0.74 P2RX7 (0.69) P2RX7HTTKCNJ11
SCHEMBL7357699 0.74 P2RX7 (0.35) P2RX7KCNJ11
SCHEMBL7358026 0.72 P2RX7 (0.41) P2RX7KCNJ11
SCHEMBL7359977 0.69 P2RX7 (0.39) P2RX7KCNJ11
SCHEMBL7362660 0.69 P2RX7 (0.41) P2RX7KCNJ11
SCHEMBL7363333 0.69 MAPKAPK2 (0.40) P2RX7KCNJ11
SCHEMBL7354769 0.67 P2RX7 (0.38) 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 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-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