SCHEMBL7357699

SCHEMBL7357699

Cc1nc(N)ccc1NC(=NC1(c2ccccc2)CCC1)NC#N

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 5/20 0.35
HCRTR2 O43614 1/20 0.34
MAPKAPK2 P49137 1/20 0.31
KCNJ11 Q14654 2/20 0.31
PIK3CA P42336 1/20 0.31
MTOR P42345 1/20 0.31
ABCC9 O60706 1/20 0.30
CYP3A4 P08684 1/20 0.30
PI4KB Q9UBF8 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 0.79 P2RX7 (0.41) P2RX7MAPKAPK2KCNJ11PIK3CAMTOR
SCHEMBL7357688 0.77 TACR3 (0.34)
SCHEMBL7357690 0.77 TACR3 (0.34)
SCHEMBL7361546 0.74 P2RX7 (0.40) P2RX7KCNJ11
SCHEMBL7362660 0.74 P2RX7 (0.41) P2RX7MAPKAPK2KCNJ11ABCC9CYP3A4
SCHEMBL7357922 0.72 P2RX7 (0.51) P2RX7KCNJ11ABCC9CYP3A4
SCHEMBL7363333 0.71 MAPKAPK2 (0.40) P2RX7MAPKAPK2KCNJ11ABCC9
SCHEMBL7359977 0.70 P2RX7 (0.39) P2RX7KCNJ11ABCC9CYP3A4
SCHEMBL7354769 0.66 P2RX7 (0.38) P2RX7MAPKAPK2KCNJ11ABCC9CYP3A4
SCHEMBL8618685 0.63 KMT2A (0.34)

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