SCHEMBL19953634

SCHEMBL19953634

CN1C(=O)CC(C(=O)N[C@H]2Cc3ccccc3[C@@H]2N)c2cccc(F)c21

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 1/20 0.37
GRM7 Q14831 3/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CHRM1 P11229 2/20 0.33
GHSR Q92847 4/20 0.32
TRPV1 Q8NER1 2/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
RIPK1 Q13546 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL19960839 0.84 HDAC4 (0.39) AADATMEN1MAPTKMT2ARIPK1
SCHEMBL19953499 0.84 FABP5 (0.39) AADATGRM7MEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL19953504 0.83 HDAC4 (0.38) AADATMEN1MAPTKMT2ARIPK1
SCHEMBL19953671 0.75 ALDH1A1 (0.39) AADATMEN1MAPTKMT2AALDH1A1
SCHEMBL19953535 0.74 OPRM1 (0.39)
SCHEMBL2467842 0.69 MTNR1A (0.46) GRM7MEN1KMT2A
SCHEMBL19797799 0.69 MTNR1A (0.46) GRM7MEN1KMT2A
SCHEMBL19960574 0.67 HDAC4 (0.33) MEN1MAPTKMT2AGHSRRIPK1
SCHEMBL19960578 0.67 HDAC4 (0.33) MEN1MAPTKMT2AGHSRRIPK1
SCHEMBL19960672 0.67 PYGL (0.37) MEN1KMT2AGHSRTRPV1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 WO claimed
WO-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 WO disclosed
WO-2018047983-A1 INDANE DERIVATIVES USEFUL AS MODULATORS OF MGLUR7 TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2018-03-15 WO disclosed