SCHEMBL8915487

SCHEMBL8915487

N#CNC(=NCCSc1ccccc1)Nc1cccnc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 5/20 0.56
P2RX7 Q99572 1/20 0.53
MEN1 O00255 1/20 0.53
ABCC9 O60706 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
KMT2A Q03164 1/20 0.53
ABCC8 Q09428 1/20 0.53
KCNJ11 Q14654 1/20 0.53
KCNJ8 Q15842 1/20 0.53
HRH4 Q9H3N8 5/20 0.51
HRH2 P25021 3/20 0.51
HRH1 P35367 1/20 0.50
HRH3 Q9Y5N1 1/20 0.50
ALDH1A1 P00352 1/20 0.50
QPCT Q16769 2/20 0.49
PKM P14618 2/20 0.43
POLB P06746 1/20 0.43
NPC1 O15118 1/20 0.43

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
SCHEMBL8915049 0.87 NAMPT (0.57) NAMPTP2RX7ABCC9CYP1A2CYP3A4
SCHEMBL8918937 0.84 HRH4 (0.48) NAMPTKCNJ11HRH4HRH2HRH1
SCHEMBL8918934 0.84 HRH4 (0.48) NAMPTKCNJ11HRH4HRH2HRH1
SCHEMBL7350535 0.82 NAMPT (0.62) NAMPTP2RX7MEN1ABCC9CYP1A2
SCHEMBL8920252 0.82 NAMPT (0.56) NAMPTP2RX7MEN1ABCC9CYP1A2
SCHEMBL8920957 0.81 NAMPT (0.57) NAMPTP2RX7MEN1ABCC9CYP1A2
SCHEMBL7356849 0.81 NAMPT (0.60) NAMPTP2RX7MEN1ABCC9CYP1A2
SCHEMBL8916138 0.80 NAMPT (0.61) NAMPTP2RX7MEN1ABCC9CYP1A2
SCHEMBL8916218 0.80 NAMPT (0.58) NAMPTP2RX7CYP3A4CYP2D6HRH4
SCHEMBL810197 0.79 NAMPT (0.63) NAMPTP2RX7MEN1ABCC9CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5696140-A FOR TREATMENT OF ASTHMA, ALLERGIES, NERVOUS SYSTEM DISORDERS OR CANCER LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1997-12-09 US disclosed
US-5563160-A NERVOUS SYSTEM DISORDERS, ANTIHISTAMINE, ANTIALLERGENS Leo Pharmaceutical Products Ltd. A/S (L.o slashed.vens Kemiske Fabrik Produktionsaktieselskab) (DK) 1996-10-08 US disclosed
EP-0660823-B1 N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS LEO PHARM PROD LTD (DK) 1996-08-14 EP disclosed
EP-0660823-A1 N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS. LEO PHARM PROD LTD (DK) 1995-07-05 EP disclosed
WO-1994006770-A1 N-CYANO-N'-PYRIDYLGUANIDINES AS SEROTONIN ANTAGONISTS Leo Pharmaceutical Products Ltd. A/S (Løvens Kemiske Fabrik Produktionsaktieselskab) (DK) 1994-03-31 WO disclosed