SCHEMBL2373286

SCHEMBL2373286

OC1CCCN(C2CCNCC2O)C1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 5/20 0.47
MAN2B1 O00754 1/20 0.34
HTR6 P50406 1/20 0.34
LSS P48449 2/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KCNH2 Q12809 1/20 0.31
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL2372921 1.00 SLC18A3 (0.47) SLC18A3MAN2B1HTR6LSSCA12
SCHEMBL9980744 0.82 SLC18A3 (0.55) SLC18A3HTR6
SCHEMBL31209576 0.79 HTR6 (0.48) MAN2B1HTR6CA12CA1CA2
SCHEMBL31209245 0.79 HTR6 (0.48) MAN2B1HTR6CA12CA1CA2
SCHEMBL2372917 0.74 HRH3 (0.39) MAN2B1HTR6CA12CA1CA2
SCHEMBL1085321 0.74 HRH3 (0.39) MAN2B1HTR6CA12CA1CA2
SCHEMBL2385937 0.73 HTR6 (0.36) HTR6CA12CA1CA2CA9
SCHEMBL9980920 0.71 SLC18A3 (0.56) SLC18A3KCNH2
SCHEMBL23553034 0.71 SLC18A3 (0.46) SLC18A3
SCHEMBL24458815 0.69 SLC18A3 (0.43) SLC18A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011119704-A1 TRPV4 ANTAGONISTS GLAXOSMITHKLINE LLC (US) 2011-09-29 WO disclosed