SCHEMBL7348979

SCHEMBL7348979

N#CNC(=NC1(c2cccc(Cl)c2)CCC1)Nc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ABCC9 O60706 13/20 0.49
KCNJ11 Q14654 13/20 0.49
ABCC8 Q09428 8/20 0.49
KCNJ8 Q15842 8/20 0.49
P2RX7 Q99572 1/20 0.46
MEN1 O00255 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
KMT2A Q03164 1/20 0.45
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.40
NAMPT P43490 1/20 0.40
GLA P06280 1/20 0.39

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
SCHEMBL7357922 0.87 P2RX7 (0.51) ABCC9KCNJ11ABCC8KCNJ8P2RX7
SCHEMBL7348975 0.78 ALDH1A1 (0.43) ABCC9KCNJ11ABCC8KCNJ8P2RX7
SCHEMBL7348973 0.78 ALDH1A1 (0.43) ABCC9KCNJ11ABCC8KCNJ8P2RX7
SCHEMBL7354876 0.77 P2RX7 (0.51) ABCC9KCNJ11ABCC8KCNJ8P2RX7
SCHEMBL7362660 0.74 P2RX7 (0.41) ABCC9KCNJ11ABCC8KCNJ8P2RX7
SCHEMBL7359977 0.73 P2RX7 (0.39) ABCC9KCNJ11ABCC8KCNJ8P2RX7
SCHEMBL7363333 0.72 MAPKAPK2 (0.40) ABCC9KCNJ11P2RX7ALDH1A1
SCHEMBL7356177 0.71 HRH4 (0.54) ABCC9KCNJ11ABCC8KCNJ8P2RX7
SCHEMBL7358026 0.71 P2RX7 (0.41) ABCC9KCNJ11ABCC8KCNJ8P2RX7
SCHEMBL7357467 0.70 ABCC9 (0.57) ABCC9KCNJ11ABCC8KCNJ8P2RX7

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-0655057-B1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS UPJOHN CO (US) 1997-09-17 EP claimed
US-5567722-A DIURETICS THE UPJOHN COMPANY (US) 1996-10-22 US claimed
EP-0655057-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS. UPJOHN CO (US) 1995-05-31 EP claimed
WO-1994004500-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO claimed
EP-0655057-B1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS UPJOHN CO (US) 1997-09-17 EP disclosed
US-5567722-A DIURETICS THE UPJOHN COMPANY (US) 1996-10-22 US disclosed
EP-0655057-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS. UPJOHN CO (US) 1995-05-31 EP disclosed
WO-1994004500-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO disclosed