SCHEMBL8920947

SCHEMBL8920947

N#CNC(=Nc1cccnc1)NCCCOc1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 6/20 0.45
GBA1 P04062 2/20 0.41
ADRB2 P07550 3/20 0.41
ADRB1 P08588 3/20 0.41
ADRB3 P13945 3/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
IMPDH2 P12268 1/20 0.40
KMT2A Q03164 1/20 0.39
RECQL P46063 1/20 0.39
HRH2 P25021 3/20 0.39
USP2 O75604 1/20 0.38
ALDH1A1 P00352 1/20 0.38
NAMPT P43490 2/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 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
SCHEMBL8916134 0.97 HRH4 (0.42) HRH4GBA1ADRB2ADRB1ADRB3
SCHEMBL8920248 0.97 HRH4 (0.48) HRH4GBA1ADRB2ADRB1ADRB3
SCHEMBL504382 0.96 HRH4 (0.42) HRH4GBA1ADRB2ADRB1ADRB3
SCHEMBL504883 0.96 HRH4 (0.42) HRH4GBA1ADRB2ADRB1ADRB3
SCHEMBL504425 0.96 HRH4 (0.42) HRH4GBA1ADRB2ADRB1ADRB3
SCHEMBL504069 0.96 HRH4 (0.42) HRH4GBA1ADRB2ADRB1ADRB3
SCHEMBL504426 0.96 HRH4 (0.42) HRH4GBA1ADRB2ADRB1ADRB3
SCHEMBL504203 0.96 HRH4 (0.42) HRH4GBA1ADRB2ADRB1ADRB3
SCHEMBL504070 0.96 HRH4 (0.42) HRH4GBA1ADRB2ADRB1ADRB3
SCHEMBL504383 0.96 HRH4 (0.42) HRH4GBA1ADRB2ADRB1ADRB3

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 3 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