SCHEMBL3726718

SCHEMBL3726718

Cc1cc(-n2c(C)nc3ccccc32)ccc1C(=O)NC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 4/20 0.53
▸ TP53 P04637 2/20 0.50
▸ HTR4 Q13639 2/20 0.48
▸ THRB P10828 1/20 0.47
▸ MAPT P10636 1/20 0.46
▸ KHK P50053 2/20 0.46
▸ PDE4B Q07343 3/20 0.45
▸ PDE4D Q08499 3/20 0.45
▸ PTK2 Q05397 2/20 0.44
▸ ACSS2 Q9NR19 1/20 0.44

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
SCHEMBL3670248 0.82 HRH3 (0.65) HRH3TP53THRBMAPTACSS2
SCHEMBL3670242 0.82 HRH3 (0.65) HRH3TP53THRBMAPTACSS2
SCHEMBL14000448 0.82 HRH3 (0.65) HRH3TP53THRBMAPTACSS2
SCHEMBL3732608 0.77 MAPK1 (0.59) HRH3THRB
SCHEMBL4937782 0.74 LMNA (0.54) HRH3HTR4
SCHEMBL594263 0.72 NPC1 (0.72) HTR4
SCHEMBL3666585 0.72 HRH3 (0.71) HRH3
SCHEMBL3721358 0.72 HRH3 (0.58) HRH3TP53MAPTACSS2
SCHEMBL1948459 0.72 DHODH (0.49) HRH3TP53PDE4B
Hydrochloric Acid SCHEMBL3674276 0.71 HRH3 (0.70) HRH3

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-2155719-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS Wyeth LLC (US) 2010-02-24 — — EP disclosed
WO-2008147945-A1 AZACYCLYLBENZAMIDE DERIVATIVES AS HISTAMINE-3 ANTAGONISTS WYETH (US) 2008-12-04 — — WO disclosed
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