SCHEMBL2206914

SCHEMBL2206914

CCC(=O)[C@H](CNc1cnc(-c2cc(C(=O)N(C)C)ccc2C)n(Cc2cc(C(=O)c3ccc(F)cc3)cc(C(F)(F)F)c2)c1=O)NC

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 5/20 0.34
GPBAR1 Q8TDU6 5/20 0.31
ELANE P08246 1/20 0.30
DDR2 Q16832 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
SCHEMBL2213493 0.92 VNN1 (0.34) VNN1ELANEDDR2
SCHEMBL2206917 0.85 VNN1 (0.34) VNN1GPBAR1ELANE
SCHEMBL2211768 0.85 VNN1 (0.34) VNN1GPBAR1ELANE
SCHEMBL14174391 0.84 VNN1 (0.33) VNN1GPBAR1ELANEDDR2
SCHEMBL2211998 0.84 KDM4E (0.38) VNN1ELANE
SCHEMBL2213498 0.80 VNN1 (0.34) VNN1DDR2
SCHEMBL2210254 0.77 KDM4E (0.35) VNN1ELANEDDR2
SCHEMBL2210261 0.77 KDM4E (0.35) VNN1ELANEDDR2
SCHEMBL2212537 0.76 VNN1 (0.33) VNN1GPBAR1DDR2
SCHEMBL2212531 0.76 VNN1 (0.33) VNN1GPBAR1DDR2

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-2099769-B1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-07-27 EP disclosed