SCHEMBL8915477

SCHEMBL8915477

N#CNC(=Nc1cccnc1)NCCSc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 9/20 0.53
HRH2 P25021 7/20 0.53
HRH1 P35367 5/20 0.52
HRH3 Q9Y5N1 5/20 0.52
SMN1; SMN2 Q16637 4/20 0.51
ALDH1A1 P00352 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
KMT2A Q03164 2/20 0.41
HTT P42858 1/20 0.41
MTNR1A P48039 1/20 0.39
MTNR1B P49286 1/20 0.39
NAMPT P43490 1/20 0.39
RECQL P46063 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
ABCC8 Q09428 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
SCHEMBL8915041 0.87 HRH4 (0.53) HRH4HRH2HRH1HRH3SMN1; SMN2
SCHEMBL11158259 0.82 HRH4 (0.51) HRH4HRH2SMN1; SMN2NPC1RAB9A
SCHEMBL8920248 0.82 HRH4 (0.48) HRH4SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL8920947 0.81 HRH4 (0.45) HRH4HRH2ALDH1A1KMT2ANAMPT
SCHEMBL11160337 0.81 MEN1 (0.47) HRH4SMN1; SMN2KMT2ANAMPTMEN1
SCHEMBL8916134 0.80 HRH4 (0.42) HRH4HRH2HRH3ALDH1A1KMT2A
SCHEMBL11157679 0.80 NAMPT (0.57) ALDH1A1KMT2AHTTNAMPTMEN1
SCHEMBL8916216 0.80 HRH4 (0.48) HRH4HRH2HRH1HRH3SMN1; SMN2
SCHEMBL504426 0.79 HRH4 (0.42) HRH4HRH2HRH3ALDH1A1KMT2A
SCHEMBL504383 0.79 HRH4 (0.42) HRH4HRH2HRH3ALDH1A1KMT2A

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