SCHEMBL4831689

SCHEMBL4831689

COc1cc2c(cc1OC)N(C(=O)c1ccc(OCCCN3CCCCC3)cc1)CCC2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 8/20 0.56
▸ CACNA1B Q00975 2/20 0.54
▸ POLB P06746 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.53
▸ TSHR P16473 2/20 0.53
▸ HPGD P15428 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.52
▸ DRD2 P14416 1/20 0.52
▸ MAOB P27338 1/20 0.52
▸ KEAP1 Q14145 1/20 0.49
▸ NFE2L2 Q16236 1/20 0.49
▸ PDE4A P27815 1/20 0.49
▸ PDE4B Q07343 1/20 0.49
▸ PDE4C Q08493 1/20 0.49
▸ PDE4D Q08499 1/20 0.49
▸ CA1 P00915 1/20 0.48
▸ CA2 P00918 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ CA14 Q9ULX7 1/20 0.48

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
SCHEMBL4235119 0.86 CACNA1B (0.50) HRH3CACNA1BPOLBMAPTALDH1A1
SCHEMBL4233071 0.85 ALDH1A1 (0.57) HRH3CACNA1BPOLBMAPTALDH1A1
SCHEMBL4832025 0.83 HRH3 (0.60) HRH3CACNA1BPOLBMAPTALDH1A1
SCHEMBL4225316 0.83 CACNA1B (0.74) HRH3CACNA1BPOLBMAPTALDH1A1
SCHEMBL4234291 0.81 HRH3 (0.62) HRH3MAPTALDH1A1DRD2PDE4B
SCHEMBL4228386 0.80 KDM4E (0.62) HRH3CACNA1BPOLBMAPTALDH1A1
SCHEMBL4234949 0.78 CACNA1B (0.56) HRH3CACNA1BALDH1A1KDM4EMAOB
SCHEMBL4239664 0.78 CACNA1B (0.56) HRH3CACNA1BALDH1A1KDM4EMAOB
SCHEMBL4229899 0.77 CACNA1B (0.76) HRH3CACNA1BPOLBMAPTALDH1A1
Hydrochloric Acid SCHEMBL4229804 0.77 CACNA1B (0.55) HRH3CACNA1BALDH1A1KDM4EMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7446103-B2 Bicyclic benzamide compound as histamine H3 receptor ligand useful in the treatment of neurological diseases GLAXO GROUP LIMITED (GB) 2008-11-04 — — US claimed
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