SCHEMBL7360161

SCHEMBL7360161

N#C/N=C(/NCC1(c2ccccc2)CC1)Nc1cccnc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 2/20 0.43
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
ABCC9 O60706 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ABCC8 Q09428 1/20 0.42
KCNJ11 Q14654 1/20 0.42
KCNJ8 Q15842 1/20 0.42
NAMPT P43490 2/20 0.41
HSD17B10 Q99714 1/20 0.40
CNR1 P21554 1/20 0.40
FPR1 P21462 2/20 0.40
FPR2 P25090 2/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 1/20 0.39
LMNA P02545 1/20 0.39
MCHR1 Q99705 2/20 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
SCHEMBL13949288 0.81 P2RX7 (0.43) P2RX7KMT2AMEN1ABCC9CYP1A2
SCHEMBL4264238 0.81 P2RX7 (0.43) P2RX7KMT2AMEN1ABCC9CYP1A2
SCHEMBL11156357 0.79 RAB9A (0.57) P2RX7KMT2AMEN1ABCC9CYP1A2
SCHEMBL14517013 0.79 HSD17B10 (0.45) P2RX7KMT2AMEN1CYP1A2CYP3A4
SCHEMBL11157675 0.79 NAMPT (0.51) KMT2AMEN1ABCC9CYP1A2CYP3A4
SCHEMBL4259491 0.79 P2RX7 (0.41) P2RX7KMT2AMEN1ABCC9CYP1A2
SCHEMBL13949283 0.79 P2RX7 (0.41) P2RX7KMT2AMEN1ABCC9CYP1A2
SCHEMBL7357917 0.79 P2RX7 (0.41) P2RX7KMT2AMEN1ABCC9CYP1A2
SCHEMBL9149002 0.77 BCL6 (0.62) KMT2AMEN1ABCC9CYP1A2CYP3A4
SCHEMBL7354870 0.76 P2RX7 (0.41) P2RX7KMT2AMEN1ABCC9CYP1A2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-1994004499-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO 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-1994004499-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO disclosed
WO-1994004500-A1 CYANOGUANIDINES AS POTASSIUM CHANNEL BLOCKERS THE UPJOHN COMPANY (US) 1994-03-03 WO disclosed