SCHEMBL17816565

SCHEMBL17816565

CCC(C)(CNC1CCC(N)CC1)C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 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
SCHEMBL20613132 0.81 SMYD3 (0.31) SMYD3
SCHEMBL28722456 0.80 KDM1A (0.32) SMYD3
SCHEMBL31177597 0.80 KDM1A (0.32) SMYD3
SCHEMBL26885623 0.80 KDM1A (0.32) SMYD3
SCHEMBL21799720 0.78 SMYD3 (0.33) SMYD3
Hydrochloric Acid SCHEMBL28722467 0.78 KDM1A (0.31) SMYD3
SCHEMBL17802158 0.78 SMYD3 (0.33) SMYD3
SCHEMBL12466313 0.77 SMYD3 (0.31) SMYD3
SCHEMBL6118449 0.77 SMYD3 (0.31) SMYD3
SCHEMBL21799913 0.75 IRAK4 (0.36) SMYD3

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-2016087975-A1 CD38 INHIBITORS AND METHODS OF TREATMENT GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2016-06-09 WO disclosed