SCHEMBL8535667

SCHEMBL8535667

CN1CCN(NCCS)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SNCA P37840 1/20 0.40
CA12 O43570 2/20 0.34
CA2 P00918 2/20 0.34
CA9 Q16790 2/20 0.34
CA1 P00915 1/20 0.34
GNAI3 P08754 1/20 0.31
GNAO1 P09471 1/20 0.31
GNAI1 P63096 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
CACNA1B Q00975 1/20 0.30
APBA1 Q02410 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL3182945 0.78 SNCA (0.41) SNCACA12CA2CA9CA1
SCHEMBL28883061 0.76 SNCA (0.40) SNCACA12CA2CA9CA1
SCHEMBL2763072 0.76 SNCA (0.40) SNCACA12CA2CA9CA1
SCHEMBL8694711 0.74 GNAI3 (0.50) SNCACA12CA2CA9CA1
SCHEMBL19503494 0.73 GNAI3 (0.58) SNCACA12CA2CA9GNAI3
SCHEMBL12821810 0.73 SNCA (0.38) SNCACA12CA2CA9CA1
SCHEMBL509603 0.72 CA12 (0.38) SNCACA12CA2CA9CA1
SCHEMBL19630043 0.70 CA12 (0.37) SNCACA12CA2CA9CA1
SCHEMBL17120819 0.69 CA12 (0.43) SNCACA12CA2CA9CA1
SCHEMBL8778709 0.66 GNAI3 (0.45) SNCAGNAI3GNAO1GNAI1

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
EP-0868900-A1 Composition and method for permanent hair waving Wella Aktiengesellschaft (DE) 1998-10-07 EP disclosed