SCHEMBL4889725

SCHEMBL4889725

CCn1c(Cc2ccc(C(=O)C3CCCN3C3CCNC3)cc2)nc2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.42
▸ DRD2 P14416 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ CNR2 P34972 2/20 0.38
▸ AGTR1 P30556 1/20 0.38
▸ AGTR2 P50052 1/20 0.38
▸ GAA P10253 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ PTAFR P25105 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HRH3 Q9Y5N1 3/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ACSS2 Q9NR19 1/20 0.37
▸ NTRK1 P04629 1/20 0.37
▸ NTRK2 Q16620 1/20 0.37

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
SCHEMBL4793576 0.93 MEN1 (0.40) KCNH2DRD2TBXA2RCNR2AGTR1
SCHEMBL4791508 0.91 LMNA (0.42) KCNH2DRD2TBXA2RCNR2HTT
SCHEMBL4764354 0.90 POLB (0.41) GAAHTTALDH1A1
SCHEMBL4790935 0.90 DRD2 (0.42) KCNH2DRD2TBXA2RCNR2HRH3
SCHEMBL4764592 0.84 HRH3 (0.54) KCNH2PTAFRHDAC1HRH3
SCHEMBL4793698 0.83 KCNH2 (0.39) KCNH2HTTSMN1; SMN2
SCHEMBL4792764 0.81 ADAM17 (0.46) HTTPTAFRHRH3
SCHEMBL4765934 0.81 MGLL (0.40) ALDH1A1
SCHEMBL4724233 0.79 HPGD (0.54) GAAHDAC1ALDH1A1SMN1; SMN2
SCHEMBL4161023 0.78 HRH3 (0.52) KCNH2HTTHRH3

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