SCHEMBL7398776

SCHEMBL7398776

Nc1c(I)cc(C(=O)O)c2c1OC(CC1CCN(CC3CCCCC3)CC1)CO2

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 16/20 0.43
ACHE P22303 15/20 0.43
SIGMAR1 Q99720 1/20 0.35

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
SCHEMBL7398143 0.89 HTR4 (0.47) HTR4ACHESIGMAR1
SCHEMBL6263176 0.84 HTR4 (0.58) HTR4ACHESIGMAR1
SCHEMBL7400947 0.81 HTR4 (0.54) HTR4ACHESIGMAR1
SCHEMBL7398774 0.76 HTR4 (0.42) HTR4ACHESIGMAR1
SCHEMBL7404756 0.73 HTR4 (0.58) HTR4ACHESIGMAR1
SCHEMBL6776570 0.72 HTR4 (0.45) HTR4ACHESIGMAR1
Hydrochloric Acid SCHEMBL7399150 0.72 HTR2C (0.59) HTR4ACHESIGMAR1
SCHEMBL7143630 0.70 HTR4 (0.48) HTR4ACHESIGMAR1
SCHEMBL8323554 0.69 HTR4 (0.37) HTR4ACHESIGMAR1
Hydrochloric Acid SCHEMBL8322605 0.68 HTR4 (0.37) HTR4ACHESIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0604494-B1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-07-28 EP claimed
US-5580885-A FOR TREATMENT OF GASTROINTESTINAL, CARDIOVASCULAR OR NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1996-12-03 US claimed
EP-0604494-B1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1999-07-28 EP disclosed
US-5580885-A FOR TREATMENT OF GASTROINTESTINAL, CARDIOVASCULAR OR NERVOUS SYSTEM DISORDERS SMITHKLINE BEECHAM P.L.C. (GB) 1996-12-03 US disclosed
EP-0604494-A1 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-06 EP disclosed
WO-1993005038-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-18 WO disclosed