SCHEMBL9344322

SCHEMBL9344322

CCCCN1CCC(Cc2cc3ccccc3c(C(=O)O)n2)CC1

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.48
HTR4 Q13639 1/20 0.45
DRD4 P21917 1/20 0.44
HTR7 P34969 3/20 0.43
KDM4E B2RXH2 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42

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
SCHEMBL9341414 0.81 KCNH2 (0.48) KCNH2HTR4DRD4HTR7SLC6A2
SCHEMBL7383392 0.79 KCNH2 (0.51) KCNH2DRD4HTR7KDM4E
SCHEMBL9340315 0.76 MEN1 (0.47) KCNH2HTR4DRD4KDM4E
SCHEMBL8575364 0.74 KCNH2 (0.46) KCNH2HTR4DRD4
SCHEMBL9344326 0.74 KCNH2 (0.45) KCNH2HTR4HTR7SLC6A4
Hydrochloric Acid SCHEMBL7325637 0.74 KCNH2 (0.45) KCNH2HTR4DRD4
SCHEMBL9341292 0.73 KDM4E (0.49) KCNH2HTR7KDM4E
SCHEMBL9341418 0.73 KCNH2 (0.46) KCNH2HTR4HTR7SLC6A4
SCHEMBL9341470 0.72 HTR4 (0.50) KCNH2HTR4HTR7KDM4E
SCHEMBL6946844 0.72 KCNH2 (0.45) KCNH2HTR7KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0600955-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-06-15 EP disclosed
WO-1993003725-A1 5-HT4 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1993-03-04 WO disclosed