SCHEMBL8920248

SCHEMBL8920248

N#CNC(=Nc1cccnc1)NCCOc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.48
IMPDH2 P12268 3/20 0.43
ADRB2 P07550 3/20 0.42
ADRB1 P08588 3/20 0.42
ADRB3 P13945 3/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
GBA1 P04062 2/20 0.40
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NAMPT P43490 4/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MEN1 O00255 1/20 0.38
ABCC9 O60706 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL8920947 0.97 HRH4 (0.45) HRH4IMPDH2ADRB2ADRB1ADRB3
SCHEMBL8916134 0.93 HRH4 (0.42) HRH4IMPDH2ADRB2ADRB1ADRB3
SCHEMBL504425 0.92 HRH4 (0.42) HRH4IMPDH2ADRB2ADRB1ADRB3
SCHEMBL504426 0.92 HRH4 (0.42) HRH4IMPDH2ADRB2ADRB1ADRB3
SCHEMBL504382 0.92 HRH4 (0.42) HRH4IMPDH2ADRB2ADRB1ADRB3
SCHEMBL504069 0.92 HRH4 (0.42) HRH4IMPDH2ADRB2ADRB1ADRB3
SCHEMBL504883 0.92 HRH4 (0.42) HRH4IMPDH2ADRB2ADRB1ADRB3
SCHEMBL504203 0.92 HRH4 (0.42) HRH4IMPDH2ADRB2ADRB1ADRB3
SCHEMBL504070 0.92 HRH4 (0.42) HRH4IMPDH2ADRB2ADRB1ADRB3
SCHEMBL504383 0.92 HRH4 (0.42) HRH4IMPDH2ADRB2ADRB1ADRB3

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