SCHEMBL4791558

SCHEMBL4791558

Cc1cccc2ncn(Cc3ccc(C(=O)[N+]4(C5CCNC5)CCCC4)cc3)c12

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 7/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.35
▸ RECQL P46063 1/20 0.35
▸ MAPK10 P53779 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ TP53 P04637 1/20 0.35
▸ PABPC1 P11940 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ CDK9 P50750 3/20 0.34
▸ TBXA2R P21731 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.32
▸ NPY1R P25929 1/20 0.32
▸ PCSK9 Q8NBP7 1/20 0.32
▸ LMNA P02545 1/20 0.32
▸ CYP11B1 P15538 1/20 0.32
▸ CYP11B2 P19099 1/20 0.32
▸ HTT P42858 1/20 0.32

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
SCHEMBL4793844 0.83 HRH3 (0.39) HRH3SMN1; SMN2HDAC1HDAC6CDK9
SCHEMBL4762113 0.82 CDK9 (0.43) HRH3SMN1; SMN2CDK9ALDH1A1LMNA
SCHEMBL4792261 0.74 HRH3 (0.52) HRH3SMN1; SMN2TP53TBXA2RALDH1A1
SCHEMBL2878939 0.73 HDAC6 (0.46) HDAC1HDAC6
SCHEMBL4790226 0.72 PPARG (0.43) HRH3KMT2AHDAC1HDAC6
SCHEMBL4792135 0.71 HDAC6 (0.40) KMT2AHDAC6TBXA2RALDH1A1LMNA
SCHEMBL4791994 0.71 PTAFR (0.41) HRH3HDAC1HDAC6CDK9
SCHEMBL4792853 0.71 CDK9 (0.38) HRH3SMN1; SMN2HDAC1HDAC6CDK9
SCHEMBL4155158 0.70 HPGD (0.43) SMN1; SMN2TP53ALDH1A1
SCHEMBL4792573 0.70 CNR2 (0.43) HDAC1TBXA2RHTT

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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