SCHEMBL17173248

SCHEMBL17173248

CC(C)N1c2ccccc2N(c2cccc(C#N)c2)[C@@H]1C

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 1/20 0.41
BRD4 O60885 2/20 0.41
DRD2 P14416 5/20 0.38
DRD3 P35462 4/20 0.38
NSD2 O96028 1/20 0.37
GRM5 P41594 5/20 0.36
KCNH2 Q12809 1/20 0.36
NOTUM Q6P988 1/20 0.35

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
SCHEMBL17169534 0.80 HTR7 (0.39) BRD4DRD2DRD3
SCHEMBL17169543 0.80 BRD4 (0.36) BRD4
SCHEMBL26248469 0.79 POLB (0.33) BRD4
SCHEMBL17169538 0.77 FADS1 (0.40) FADS1DRD2DRD3NSD2GRM5
SCHEMBL18088237 0.75 FADS1 (0.39) FADS1DRD2DRD3NSD2NOTUM
SCHEMBL16420336 0.71 KDM4E (0.32) BRD4
SCHEMBL17916655 0.70 GAA (0.35) BRD4
SCHEMBL17883187 0.69 DRD2 (0.51) DRD2DRD3NSD2GRM5NOTUM
SCHEMBL16420324 0.69 BRD4 (0.30) BRD4
SCHEMBL19224774 0.68 ALDH1A1 (0.37)

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-20150295189-A1 Organic Electroluminescent Materials and Devices UNIVERSAL DISPLAY CORPORATION 2015-10-15 US disclosed