SCHEMBL4790952

SCHEMBL4790952

Cc1nc2cc(Cl)ccc2n1Cc1ccc(C(=O)C2CCCN2C2CCNC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.42
▸ PPARG P37231 4/20 0.41
▸ PTAFR P25105 1/20 0.40
▸ KCNH2 Q12809 3/20 0.40
▸ KMT2A Q03164 1/20 0.39
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HDAC3 O15379 1/20 0.38
▸ HDAC4 P56524 1/20 0.38
▸ HDAC7 Q8WUI4 1/20 0.38
▸ HDAC2 Q92769 1/20 0.38
▸ HDAC10 Q969S8 1/20 0.38
▸ HDAC11 Q96DB2 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.38
▸ HDAC9 Q9UKV0 1/20 0.38
▸ HDAC5 Q9UQL6 1/20 0.38
▸ GALR3 O60755 1/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ BACE1 P56817 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
SCHEMBL4761940 0.93 HRH3 (0.42) HRH3PTAFRKCNH2HDAC1HDAC6
SCHEMBL4764592 0.89 HRH3 (0.54) HRH3PTAFRKCNH2HDAC1HDAC6
SCHEMBL4790887 0.84 L3MBTL1 (0.36) KCNH2BACE1
SCHEMBL4793189 0.83 HRH3 (0.40) HRH3PPARGKCNH2
SCHEMBL4792689 0.80 CDK9 (0.44) HRH3KCNH2
SCHEMBL4792764 0.77 ADAM17 (0.46) HRH3PTAFRKMT2A
SCHEMBL4790226 0.77 PPARG (0.43) HRH3PPARGPTAFRKCNH2KMT2A
SCHEMBL4791701 0.75 HRH3 (0.35) HRH3KCNH2HDAC1HDAC6
SCHEMBL4790266 0.74 CDK9 (0.42) HRH3
SCHEMBL4889725 0.74 KCNH2 (0.42) HRH3PTAFRKCNH2HDAC1

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 4 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 claimed
WO-2007108936-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2007-09-27 — — WO claimed
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
Send feedback