SCHEMBL602018

SCHEMBL602018

Cc1ccc2[nH]c(C(=O)NC3CC4CCC(C3)N4C)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HTR3E A5X5Y0 4/20 0.47
▸ HTR3B O95264 4/20 0.47
▸ HTR3A P46098 4/20 0.47
▸ HTR3D Q70Z44 4/20 0.47
▸ HTR3C Q8WXA8 4/20 0.47
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ DYRK1A Q13627 1/20 0.45

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
SCHEMBL13914877 0.88 HTR3A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL601384 0.88 HTR3A (0.49) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL602081 0.85 SMYD3 (0.58) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29086776 0.83 RAB9A (0.51) KMT2A
SCHEMBL30912935 0.83 RAB9A (0.51) KMT2A
SCHEMBL602548 0.83 HRH4 (0.50) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL29086887 0.82 RAB9A (0.53) MEN1KMT2A
SCHEMBL30912932 0.82 RAB9A (0.53) MEN1KMT2A
SCHEMBL605257 0.80 MEN1 (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL605537 0.78 HTR3E (0.53) HTR3EHTR3BHTR3AHTR3DHTR3C

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
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 — — US claimed
US-20120039913-A1 Selective Histamine H4 Receptor Antagonists for the Treatment of Vestibular Disorders INSERM (institut National de la Sante de la Recher Medicale) (FR) 2012-02-16 — — US disclosed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 — — US disclosed
US-7504426-B2 Heterocyclic compounds JANSSEN PHARMACEUTICA N.V. (BE) 2009-03-17 — — US disclosed
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