SCHEMBL4792135

SCHEMBL4792135

Cn1c(Cc2ccc(C(=O)[N+]3(C4CCNC4)CCCC3)cc2)nc2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC6 Q9UBN7 1/20 0.40
▸ ACSL1 P33121 2/20 0.40
▸ F2 P00734 2/20 0.38
▸ LMNA P02545 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ DDB1 Q16531 1/20 0.37
▸ CRBN Q96SW2 1/20 0.37
▸ ADAMTS5 Q9UNA0 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ TBXA2R P21731 1/20 0.37
▸ CNR2 P34972 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ HTT P42858 1/20 0.36
▸ HCRTR1 O43613 1/20 0.36
▸ HCRTR2 O43614 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
SCHEMBL4792573 0.89 CNR2 (0.43) DRD2TBXA2RCNR2GAAHTT
SCHEMBL2887550 0.79 SLC6A4 (0.42) HDAC6KMT2A
SCHEMBL4792261 0.79 HRH3 (0.52) LMNADRD2TBXA2RCNR2KDM4E
SCHEMBL2878939 0.76 HDAC6 (0.46) HDAC6F2CNR2
SCHEMBL4167425 0.75 ESR1 (0.47) HDAC6
SCHEMBL4791994 0.73 PTAFR (0.41) HDAC6
SCHEMBL1812812 0.72 SLC6A2 (0.35) LMNAKDM4EHTT
SCHEMBL3495450 0.72 AGTR1 (0.58) HDAC6ADAMTS5DRD2TBXA2RGAA
SCHEMBL4791558 0.71 HRH3 (0.37) HDAC6LMNAKMT2ATBXA2RALDH1A1
SCHEMBL4790226 0.71 PPARG (0.43) HDAC6KMT2A

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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