SCHEMBL6012735

SCHEMBL6012735

CN1CCNCC12CCNCC2

nearest known ligand 0.76

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SOS1 Q07889 1/20 0.76
SOS2 Q07890 1/20 0.76
TSHR P16473 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 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
SCHEMBL1189699 0.91
Hydrochloric Acid SCHEMBL27088024 0.88 SOS1 (0.79) SOS1SOS2TSHRSLC6A2SLC6A4
SCHEMBL14161267 0.88
Hydrochloric Acid SCHEMBL1190602 0.88 SOS1 (0.79) SOS1SOS2TSHRSLC6A2SLC6A4
SCHEMBL17609001 0.87 SOS1 (0.64) SOS1SOS2TSHRSLC6A2SLC6A4
SCHEMBL14826665 0.86 SOS1 (0.91) SOS1SOS2SLC6A2SLC6A4SLC6A3
SCHEMBL14826667 0.86 SOS1 (1.00) SOS1SOS2SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL31076497 0.86 SOS1 (0.63) SOS1SOS2TSHRSLC6A2SLC6A4
SCHEMBL24722834 0.84 SOS1 (0.96) SOS1SOS2SLC6A2SLC6A4SLC6A3
SCHEMBL19320636 0.84 SOS1 (0.73) SOS1SOS2SLC6A2SLC6A4SLC6A3

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
US-7119091-B2 Triazaspiro[5.5]undecane derivatives and pharmaceutical compositions comprising thereof, as an active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2006-10-10 US disclosed