SCHEMBL13683441

SCHEMBL13683441

CC(C)(C)OCCN1CC[C@](C)(O)[C@H](O)C1

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.33
CACNA1I Q9P0X4 1/20 0.33

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
SCHEMBL13656364 0.79 KCNH2 (0.33) KCNH2CACNA1I
SCHEMBL13656377 0.79 KCNH2 (0.33) KCNH2CACNA1I
SCHEMBL13656334 0.78 KCNH2 (0.36) KCNH2CACNA1I
SCHEMBL13683428 0.75
SCHEMBL14505150 0.75
SCHEMBL18859483 0.74 ALDH1A1 (0.35) KCNH2CACNA1I
SCHEMBL13660266 0.74 MCHR1 (0.38) KCNH2CACNA1I
SCHEMBL13660207 0.73 GLB1 (0.47)
SCHEMBL13472101 0.73 LTA4H (0.43) KCNH2CACNA1I
SCHEMBL13660209 0.73 GLB1 (0.47)

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
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed
US-7592373-B2 Amide compounds with MCH antagonistic activity and medicaments comprising these compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-09-22 US disclosed