SCHEMBL4764592

SCHEMBL4764592

Cc1nc2ccccc2n1Cc1ccc(C(=O)C2CCCN2C2CCNC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 10/20 0.54
▸ PTAFR P25105 2/20 0.52
▸ HDAC1 Q13547 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ GALR3 O60755 2/20 0.44
▸ NR2F2 P24468 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ TNF P01375 1/20 0.44
▸ CYP2D6 P10635 1/20 0.42
▸ HRH1 P35367 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42

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
SCHEMBL4790952 0.89 HRH3 (0.42) HRH3PTAFRHDAC1HDAC6GALR3
SCHEMBL4761940 0.89 HRH3 (0.42) HRH3PTAFRHDAC1HDAC6GALR3
SCHEMBL4792764 0.88 ADAM17 (0.46) HRH3PTAFRCYP2D6HRH1
SCHEMBL4161023 0.85 HRH3 (0.52) HRH3KCNH2
SCHEMBL4889725 0.84 KCNH2 (0.42) HRH3PTAFRHDAC1KCNH2
SCHEMBL4793576 0.83 MEN1 (0.40) KCNH2
SCHEMBL4791508 0.82 LMNA (0.42) HRH3PTAFRKCNH2
SCHEMBL4764354 0.81 POLB (0.41) —
SCHEMBL4790935 0.81 DRD2 (0.42) HRH3RAB9AKCNH2
SCHEMBL2879390 0.80 RECQL (0.42) HRH3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1994022-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth a Corporation of the State of Delaware (US) 2008-11-26 — — EP disclosed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 — — WO disclosed
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