SCHEMBL18922708

SCHEMBL18922708

CCNC1CC2COCC(C1)N2C

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 16/20 0.34
KCNH2 Q12809 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
SCHEMBL12471683 0.83 LMNA (0.44) HTR3AKCNH2
SCHEMBL23812586 0.79
SCHEMBL14232024 0.77
SCHEMBL15030963 0.77
SCHEMBL19969960 0.76 HTR3A (0.34) HTR3A
SCHEMBL15444631 0.76 HTR3A (0.34) HTR3A
SCHEMBL12232731 0.74
SCHEMBL15440767 0.72 CHRM1 (0.35) HTR3A
SCHEMBL19723152 0.72 KCNH2 (0.34) KCNH2
SCHEMBL6845304 0.71 KCNH2 (0.46) KCNH2

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-9695195-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-07-04 US disclosed
US-9670229-B2 5-HT3 receptor antagonists TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-06-06 US disclosed