SCHEMBL4792573

SCHEMBL4792573

CCn1c(Cc2ccc(C(=O)[N+]3(C4CCNC4)CCCC3)cc2)nc2ccccc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 9/20 0.43
▸ DRD2 P14416 1/20 0.42
▸ TBXA2R P21731 1/20 0.42
▸ HDAC1 Q13547 1/20 0.40
▸ CNR1 P21554 3/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ AGTR1 P30556 1/20 0.39
▸ AGTR2 P50052 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ HTT P42858 1/20 0.38

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
SCHEMBL4792135 0.89 HDAC6 (0.40) CNR2DRD2TBXA2RGAAHTT
SCHEMBL4792261 0.81 HRH3 (0.52) CNR2DRD2TBXA2RHTT
SCHEMBL2878939 0.77 HDAC6 (0.46) CNR2HDAC1
SCHEMBL4889725 0.76 KCNH2 (0.42) CNR2DRD2TBXA2RHDAC1KCNH2
SCHEMBL2887550 0.76 SLC6A4 (0.42) HDAC1
SCHEMBL4167425 0.74 ESR1 (0.47) HDAC1KCNH2
SCHEMBL4790226 0.74 PPARG (0.43) HDAC1KCNH2
SCHEMBL4791994 0.73 PTAFR (0.41) HDAC1KCNH2
SCHEMBL1812812 0.71 SLC6A2 (0.35) HTT
SCHEMBL4793698 0.70 KCNH2 (0.39) KCNH2HTT

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