SCHEMBL4169608

SCHEMBL4169608

Cc1cc2ccccc2n1-c1ccc(C(=O)C2CCCN2C2CCNC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 4/20 0.37
▸ SLC6A2 P23975 3/20 0.37
▸ SLC6A3 Q01959 2/20 0.37
▸ HDAC1 Q13547 3/20 0.36
▸ HDAC8 Q9BY41 3/20 0.36
▸ HDAC6 Q9UBN7 3/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.36
▸ HRH3 Q9Y5N1 6/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ HIF1A Q16665 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ KDM2B Q8NHM5 2/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ KHK P50053 1/20 0.33
▸ HAO1 Q9UJM8 1/20 0.33

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
SCHEMBL4161023 0.84 HRH3 (0.52) HRH3KCNH2
SCHEMBL4013186 0.82 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3MAPTRXFP1
SCHEMBL1813625 0.82 SLC6A4 (0.37) SLC6A4SLC6A2SLC6A3MAPTRXFP1
SCHEMBL1814722 0.80 KHK (0.44) SLC6A4SLC6A2SLC6A3HPGDKHK
SCHEMBL2884746 0.76 HRH3 (0.51) HDAC1HDAC8HDAC6HRH3KMT2A
SCHEMBL4169878 0.75 MGLL (0.42) MAPTMEN1KMT2AHPGDKCNH2
SCHEMBL4167473 0.75 MGLL (0.35) SLC6A4SLC6A2SLC6A3HDAC1HDAC8
SCHEMBL4166486 0.75 KDM2B (0.40) MAPTMEN1KMT2AKDM4EALDH1A1
SCHEMBL4764592 0.75 HRH3 (0.54) HDAC1HDAC6HRH3KCNH2CYP2D6
SCHEMBL3841290 0.74 ALDH1A1 (0.47) SLC6A4SLC6A2ALDH1A1KDM2BKCNH2

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-2074088-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS Wyeth (US) 2009-07-01 — — EP claimed
WO-2008045371-A2 N-SUBSTITUTED-AZACYCLYLAMINES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-04-17 — — WO claimed
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