SCHEMBL4791994

SCHEMBL4791994

Cc1nc2ccc(Cl)cc2n1Cc1ccc(C(=O)[N+]2(C3CCNC3)CCCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTAFR P25105 1/20 0.41
▸ HDAC1 Q13547 2/20 0.41
▸ HDAC6 Q9UBN7 2/20 0.41
▸ HDAC3 O15379 1/20 0.41
▸ HDAC4 P56524 1/20 0.41
▸ HDAC7 Q8WUI4 1/20 0.41
▸ HDAC2 Q92769 1/20 0.41
▸ HDAC10 Q969S8 1/20 0.41
▸ HDAC11 Q96DB2 1/20 0.41
▸ HDAC8 Q9BY41 1/20 0.41
▸ HDAC9 Q9UKV0 1/20 0.41
▸ HDAC5 Q9UQL6 1/20 0.41
▸ KCNH2 Q12809 3/20 0.41
▸ CDK9 P50750 1/20 0.39
▸ HRH3 Q9Y5N1 5/20 0.39
▸ GALR3 O60755 1/20 0.39
▸ NR2F2 P24468 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ PPARG P37231 2/20 0.39
▸ SOS1 Q07889 2/20 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
SCHEMBL4790226 0.94 PPARG (0.43) PTAFRHDAC1HDAC6HDAC3HDAC4
SCHEMBL4172886 0.81 HPGD (0.44) KCNH2HRH3
SCHEMBL4792261 0.78 HRH3 (0.52) HRH3
SCHEMBL4762113 0.77 CDK9 (0.43) CDK9HRH3BRD4
SCHEMBL4761940 0.76 HRH3 (0.42) PTAFRHDAC1HDAC6HDAC3HDAC4
SCHEMBL2878939 0.76 HDAC6 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL4793844 0.76 HRH3 (0.39) HDAC1HDAC6HDAC3HDAC4HDAC7
SCHEMBL4792573 0.73 CNR2 (0.43) HDAC1KCNH2
SCHEMBL4792135 0.73 HDAC6 (0.40) HDAC6
SCHEMBL4791558 0.71 HRH3 (0.37) HDAC1HDAC6CDK9HRH3

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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