SCHEMBL7398774

SCHEMBL7398774

CC1(C2CCN(CC3CCCCC3)CC2)COc2c(C(=O)O)cc(I)c(N)c2O1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 15/20 0.42
ACHE P22303 14/20 0.42
SIGMAR1 Q99720 1/20 0.35
PARP1 P09874 2/20 0.32
CCR1 P32246 1/20 0.32

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
SCHEMBL7398142 0.89 HTR4 (0.46) HTR4ACHESIGMAR1
SCHEMBL7398776 0.76 HTR4 (0.43) HTR4ACHESIGMAR1
SCHEMBL7404754 0.73 HTR4 (0.54) HTR4ACHESIGMAR1
Hydrochloric Acid SCHEMBL7399148 0.73 HTR2C (0.54) HTR4ACHESIGMAR1
SCHEMBL8461663 0.66 HTR4 (0.54) HTR4ACHESIGMAR1
SCHEMBL7398143 0.65 HTR4 (0.47) HTR4ACHESIGMAR1
SCHEMBL7395283 0.64 HTR4 (0.39) HTR4SIGMAR1
SCHEMBL26881634 0.64 EZH2 (0.41) HTR4ACHESIGMAR1
Iodide SCHEMBL7399142 0.63 HTR2C (0.37) HTR4SIGMAR1
SCHEMBL2946654 0.63 HTR4 (0.45) HTR4PARP1

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