SCHEMBL8039331

SCHEMBL8039331

CC(C)n1nc(C(=O)NC2CC3CCC(C2)N3)c2ccccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ HTR4 Q13639 19/20 1.00
▸ ALDH1A1 P00352 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56

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
SCHEMBL2261477 1.00 HTR4 (1.00) HTR4ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL12227452 1.00 HTR4 (1.00) HTR4ALDH1A1CYP3A4TSHRMAPK1
Trifluoroacetic Acid SCHEMBL2261833 0.94 HTR4 (0.88) HTR4
SCHEMBL8714839 0.90 HTR4 (0.82) HTR4CYP3A4
SCHEMBL8714841 0.90 HTR4 (0.82) HTR4CYP3A4
SCHEMBL16504004 0.85 HTR4 (0.81) HTR4ALDH1A1CYP3A4TSHRMAPK1
SCHEMBL2538722 0.85 HTR4 (0.74) HTR4
SCHEMBL7429870 0.84 HTR4 (1.00) HTR4
Hydrochloric Acid SCHEMBL3170515 0.83 HTR4 (0.98) HTR4
SCHEMBL7431308 0.82 HTR4 (0.76) HTR4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6117882-A 5-HT4 agonists and antagonists ELI LILLY AND COMPANY (US) 2000-09-12 — — US disclosed
US-6069152-A NERVOUS SYSTEM DISORDERS; CARDIOVASCULAR DISORDERS; GASTROINTESTINAL DISORDERS ELI LILLY AND COMPANY (US) 2000-05-30 — — US disclosed
EP-0908459-A1 5-HT4 Agonists and antagonists ELI LILLY AND COMPANY (US) 1999-04-14 — — EP disclosed
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