SCHEMBL4724233

SCHEMBL4724233

O=C(c1ccc(Cc2nc3ccccc3[nH]2)cc1)C1CCCN1[C@H]1CCNC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 1/20 0.54
▸ HDAC3 O15379 2/20 0.43
▸ HDAC4 P56524 2/20 0.43
▸ HDAC1 Q13547 2/20 0.43
▸ HDAC7 Q8WUI4 2/20 0.43
▸ HDAC2 Q92769 2/20 0.43
▸ HDAC10 Q969S8 2/20 0.43
▸ HDAC11 Q96DB2 2/20 0.43
▸ HDAC8 Q9BY41 2/20 0.43
▸ HDAC6 Q9UBN7 2/20 0.43
▸ HDAC9 Q9UKV0 2/20 0.43
▸ HDAC5 Q9UQL6 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PKM P14618 1/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ GAA P10253 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ HTR2B P41595 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ TP53 P04637 1/20 0.41

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
SCHEMBL4765934 0.83 MGLL (0.40) ALDH1A1HTR2BLMNA
SCHEMBL4889725 0.79 KCNH2 (0.42) HDAC1SMN1; SMN2GAAALDH1A1
SCHEMBL4764592 0.79 HRH3 (0.54) HDAC1HDAC6RAB9A
SCHEMBL4793576 0.78 MEN1 (0.40) SMN1; SMN2ALDH1A1KMT2A
SCHEMBL4764354 0.78 POLB (0.41) GAAALDH1A1LMNAKMT2A
SCHEMBL4791508 0.77 LMNA (0.42) ALDH1A1LMNAKMT2A
SCHEMBL4790935 0.76 DRD2 (0.42) HPGDTP53NPC1RAB9AKMT2A
SCHEMBL4792764 0.76 ADAM17 (0.46) TP53KMT2A
SCHEMBL4161023 0.75 HRH3 (0.52) HSD17B10
SCHEMBL2879390 0.74 RECQL (0.42) SMN1; SMN2HSD17B10GAAALDH1A1NPC1

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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