SCHEMBL4793844

SCHEMBL4793844

Cc1ccc2c(c1)ncn2Cc1ccc(C(=O)[N+]2(C3CCNC3)CCCC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ CDK9 P50750 3/20 0.39
▸ IDO1 P14902 1/20 0.37
▸ HDAC1 Q13547 2/20 0.37
▸ HDAC6 Q9UBN7 2/20 0.37
▸ HDAC3 O15379 1/20 0.37
▸ HDAC4 P56524 1/20 0.37
▸ HDAC7 Q8WUI4 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC10 Q969S8 1/20 0.37
▸ HDAC11 Q96DB2 1/20 0.37
▸ HDAC8 Q9BY41 1/20 0.37
▸ HDAC9 Q9UKV0 1/20 0.37
▸ HDAC5 Q9UQL6 1/20 0.37

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
SCHEMBL4762113 0.94 CDK9 (0.43) HRH3SMN1; SMN2LMNACYP11B1CYP11B2
SCHEMBL4792853 0.87 CDK9 (0.38) HRH3SMN1; SMN2LMNACYP11B1CYP11B2
SCHEMBL4762035 0.83 HDAC1 (0.39) HRH3SMN1; SMN2LMNACYP11B1CYP11B2
SCHEMBL4791558 0.83 HRH3 (0.37) HRH3SMN1; SMN2LMNACYP11B1CYP11B2
SCHEMBL4155158 0.80 HPGD (0.43) SMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL4790226 0.76 PPARG (0.43) HRH3HDAC1HDAC6HDAC3HDAC4
SCHEMBL4791994 0.76 PTAFR (0.41) HRH3CDK9HDAC1HDAC6HDAC3
SCHEMBL4170563 0.73 HPGD (0.42) ALDH1A1RAB9A
SCHEMBL2878939 0.73 HDAC6 (0.46) HDAC1HDAC6HDAC3HDAC2HDAC10
SCHEMBL4792261 0.73 HRH3 (0.52) HRH3SMN1; SMN2LMNAHTTALDH1A1

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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