SCHEMBL1724211

SCHEMBL1724211

CC(C)c1nc2c(C(=O)NCC3CCN(CC4CCN(C(=O)O)CC4)CC3)cccc2[nH]1

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 19/20 0.87
HTR3A P46098 16/20 0.87
PARP1 P09874 1/20 0.49
PARP2 Q9UGN5 1/20 0.49

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
Felcisetrag SCHEMBL390795 0.91 HTR4 (1.00) HTR4HTR3A
Felcisetrag SCHEMBL4361880 0.91 HTR4 (0.98) HTR4HTR3A
SCHEMBL29397319 0.90 HTR4 (0.82) HTR4HTR3APARP1PARP2
SCHEMBL828983 0.90 HTR4 (0.82) HTR4HTR3APARP1PARP2
SCHEMBL27850731 0.90 HTR4 (0.82) HTR4HTR3APARP1PARP2
SCHEMBL828734 0.89 HTR4 (0.84) HTR4HTR3APARP1PARP2
SCHEMBL828330 0.88 HTR4 (0.85) HTR4HTR3APARP1
SCHEMBL29400982 0.88 HTR4 (0.79) HTR4HTR3APARP1PARP2
SCHEMBL828864 0.88 HTR4 (0.79) HTR4HTR3APARP1PARP2
SCHEMBL29400324 0.88 HTR4 (1.00) HTR4HTR3APARP1PARP2

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-2376427-B1 CRYSTALLINE FORMS OF A 3-CARBOXYPROPYL-AMINOTETRALIN COMPOUND THERAVANCE BIOPHARMA R&D IP LLC (US) 2017-08-02 EP disclosed
CN-105832735-A 5-HT4 receptor agonist compounds for treatment of cognitive disorders 施万生物制药研发IP有限责任公司 2016-08-10 CN disclosed
EP-2185553-B1 AMIDOALKYL-8-AZABICYCLO[3.2.1]OCTANE COMPOUNDS AS MU OPIOID RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2012-06-27 EP disclosed
EP-1899324-B1 Benzimidazole-carboxamide compounds as 5-HT4 receptor agonists THERAVANCE INC (US) 2011-11-30 EP disclosed