SCHEMBL7325774

SCHEMBL7325774

CCCCN1CCC(CNC(=O)c2c(Cl)[nH]c3ccccc23)CC1

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 5/20 0.58
NR4A2 P43354 1/20 0.51

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
Hydrochloric Acid SCHEMBL9344979 0.85 HTR4 (0.55) HTR4
SCHEMBL8508371 0.84 HTR4 (0.52) HTR4NR4A2
SCHEMBL7421473 0.83 HTR4 (0.53) HTR4
SCHEMBL7429744 0.80 HTR4 (0.80) HTR4NR4A2
SCHEMBL6952214 0.79 GSK3B (0.62)
SCHEMBL9341292 0.75 KDM4E (0.49)
SCHEMBL9345077 0.74 KDM4E (0.46) HTR4
Piboserod SCHEMBL467339 0.73 HTR4 (1.00) HTR4
Piboserod SCHEMBL30234609 0.73 HTR4 (1.00) HTR4
SCHEMBL9340440 0.73 ALOX15 (0.53) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5998409-A GASTROINTESTINAL DISORDERS; CARDIOVASCULAR DISORDERS; NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM PLC (GB) 1999-12-07 US disclosed
EP-0630376-B1 CONDENSED INDOLE DERIVATIVES AS 5-HT4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-06-02 EP disclosed
US-5852014-A Condensed indole derivatives as 5HT4 -receptor antagonists SMITHKLINE BEECHAM P.L.C. (GB) 1998-12-22 US disclosed
EP-0630376-A1 CONDENSED INDOLE DERIVATIVES AS 5HT 4?-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-12-28 EP disclosed
WO-1993018036-A1 CONDENSED INDOLE DERIVATIVES AS 5HT4-RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-09-16 WO disclosed