SCHEMBL4791508

SCHEMBL4791508

CC(C)Cn1c(Cc2ccc(C(=O)C3CCCN3C3CCNC3)cc2)nc2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.42
▸ DRD2 P14416 1/20 0.39
▸ TBXA2R P21731 1/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ KCNH2 Q12809 1/20 0.37
▸ REN P00797 1/20 0.37
▸ POLB P06746 1/20 0.37
▸ ALOX5AP P20292 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ TSHR P16473 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ PTAFR P25105 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HRH3 Q9Y5N1 3/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL4889725 0.91 KCNH2 (0.42) DRD2TBXA2RKCNH2HTTPTAFR
SCHEMBL4793576 0.89 MEN1 (0.40) DRD2TBXA2RMEN1KMT2AKCNH2
SCHEMBL4764354 0.88 POLB (0.41) LMNAMEN1KMT2APOLBMAPT
SCHEMBL4790935 0.87 DRD2 (0.42) DRD2TBXA2RKMT2AKCNH2REN
SCHEMBL4764592 0.82 HRH3 (0.54) KCNH2PTAFRHRH3
SCHEMBL4792764 0.79 ADAM17 (0.46) MEN1KMT2AMAPTHTTPTAFR
SCHEMBL4765934 0.79 MGLL (0.40) LMNAALDH1A1
SCHEMBL4724233 0.77 HPGD (0.54) LMNAKMT2AALDH1A1
SCHEMBL4161023 0.76 HRH3 (0.52) KCNH2HTTHRH3
SCHEMBL4793698 0.74 KCNH2 (0.39) LMNAMEN1KMT2AKCNH2MAPT

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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