SCHEMBL19785596

SCHEMBL19785596

Cc1cc(N)c(C)c(CN2CCN(C(=O)OC(C)(C)C)CC2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 1/20 0.45
VEGFA P15692 1/20 0.45
EGLN1 Q9GZT9 1/20 0.45
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
TERT O14746 1/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA4 P22748 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
MEN1 O00255 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SMARCA2 P51531 1/20 0.40

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
SCHEMBL19785873 0.88 VEGFA (0.51) FGFR1VEGFAEGLN1CHRM2CHRM4
SCHEMBL20150071 0.85 MGLL (0.48) FGFR1VEGFAEGLN1CHRM2CHRM4
SCHEMBL4496837 0.85 VEGFA (0.50) FGFR1VEGFAEGLN1CHRM2CHRM4
SCHEMBL19785610 0.85 VEGFA (0.42) FGFR1VEGFAEGLN1CHRM2CHRM4
SCHEMBL19785782 0.83 MGLL (0.41) ALDH1A1KDM4EPOLBMGLL
SCHEMBL19785594 0.82 HDAC1 (0.41) MGLLGPR119
SCHEMBL29613577 0.82 HDAC1 (0.41) MGLLGPR119
SCHEMBL4502120 0.80 VEGFA (0.49) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL13535201 0.79 VEGFA (0.47) VEGFAEGLN1CHRM2CHRM4CHRM1
SCHEMBL15265651 0.78 VEGFA (0.47) VEGFAEGLN1CHRM2CHRM4CHRM1

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-2018011201-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2018-01-18 WO disclosed