SCHEMBL19785873

SCHEMBL19785873

Cc1c(N)cc(Cl)cc1CN1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 1/20 0.51
EGLN1 Q9GZT9 1/20 0.51
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SETD7 Q8WTS6 1/20 0.43
FGFR1 P11362 1/20 0.42
DDR1 Q08345 2/20 0.42
POLB P06746 1/20 0.41
STS P08842 3/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 1/20 0.41
TSHR P16473 1/20 0.41
MGLL Q99685 2/20 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
SCHEMBL19785596 0.88 FGFR1 (0.45) VEGFAEGLN1MEN1KMT2AALDH1A1
SCHEMBL20614048 0.86 VEGFA (0.49) VEGFAEGLN1MEN1KMT2AALDH1A1
SCHEMBL23434765 0.85 VEGFA (0.57) VEGFAEGLN1MEN1KMT2AALDH1A1
SCHEMBL19785591 0.84 ALDH1A1 (0.44) ALDH1A1POLBKDM4ETSHRMGLL
SCHEMBL19785610 0.83 VEGFA (0.42) VEGFAEGLN1ALDH1A1FGFR1POLB
SCHEMBL15784144 0.83 PTGDR2 (0.45) VEGFAEGLN1
SCHEMBL15776880 0.83 PTGDR2 (0.45) VEGFAEGLN1
SCHEMBL29613547 0.83 PTGDR2 (0.45) VEGFAEGLN1
SCHEMBL17304394 0.83 PTGDR2 (0.45) VEGFAEGLN1
SCHEMBL18658598 0.82 VEGFA (0.48) VEGFAEGLN1MEN1KMT2AALDH1A1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3484880-B1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA AS (DK) 2020-09-02 EP disclosed
WO-2018011201-A1 HETEROAROMATIC MODULATORS OF THE RETINOID-RELATED ORPHAN RECEPTOR GAMMA LEO PHARMA A/S (DK) 2018-01-18 WO disclosed