SCHEMBL4761940

SCHEMBL4761940

Cc1nc2ccc(Cl)cc2n1Cc1ccc(C(=O)C2CCCN2C2CCNC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.42
▸ SPHK1 Q9NYA1 2/20 0.41
▸ PTAFR P25105 1/20 0.40
▸ HDAC1 Q13547 2/20 0.40
▸ HDAC6 Q9UBN7 2/20 0.40
▸ HDAC3 O15379 1/20 0.40
▸ HDAC4 P56524 1/20 0.40
▸ HDAC7 Q8WUI4 1/20 0.40
▸ HDAC2 Q92769 1/20 0.40
▸ HDAC10 Q969S8 1/20 0.40
▸ HDAC11 Q96DB2 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ HDAC9 Q9UKV0 1/20 0.40
▸ HDAC5 Q9UQL6 1/20 0.40
▸ KCNH2 Q12809 3/20 0.40
▸ SOS1 Q07889 2/20 0.39
▸ F2 P00734 2/20 0.39
▸ F10 P00742 2/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ GALR3 O60755 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
SCHEMBL4790952 0.93 HRH3 (0.42) HRH3PTAFRHDAC1HDAC6HDAC3
SCHEMBL4764592 0.89 HRH3 (0.54) HRH3PTAFRHDAC1HDAC6KCNH2
SCHEMBL4792689 0.83 CDK9 (0.44) HRH3KCNH2CDK9
SCHEMBL4793189 0.80 HRH3 (0.40) HRH3KCNH2CDK9
SCHEMBL4790887 0.79 L3MBTL1 (0.36) KCNH2
SCHEMBL4792764 0.77 ADAM17 (0.46) HRH3PTAFR
SCHEMBL4791994 0.76 PTAFR (0.41) HRH3SPHK1PTAFRHDAC1HDAC6
SCHEMBL4161023 0.76 HRH3 (0.52) HRH3KCNH2
SCHEMBL4889725 0.74 KCNH2 (0.42) HRH3PTAFRHDAC1KCNH2
SCHEMBL5131548 0.74 HTR2C (0.42) HRH3

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
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