SCHEMBL28839832

SCHEMBL28839832

CN(C)c1ccc(-n2ncc3cc(-c4cc(CN5CCCCC5)cc(F)c4F)ccc32)cn1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NR3C1 P04150 13/20 0.40
PGR P06401 7/20 0.39
WNT1 P04628 2/20 0.38
DYRK1A Q13627 2/20 0.38
TRPV1 Q8NER1 1/20 0.34
AR P10275 2/20 0.33
ALDH1A1 P00352 1/20 0.33
HTT P42858 1/20 0.33
MCHR1 Q99705 2/20 0.33

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
SCHEMBL28127736 0.86 NR3C1 (0.39) NR3C1PGRWNT1DYRK1AAR
SCHEMBL28127729 0.86 NR3C1 (0.39) NR3C1PGRWNT1DYRK1AAR
SCHEMBL28127382 0.85 NR3C1 (0.40) NR3C1PGRWNT1DYRK1AAR
SCHEMBL28127407 0.85 HRH3 (0.39) NR3C1PGRWNT1DYRK1AMCHR1
SCHEMBL28127486 0.83 NR3C1 (0.41) NR3C1PGRWNT1DYRK1AAR
SCHEMBL28839870 0.82 DYRK1A (0.42) NR3C1WNT1DYRK1A
SCHEMBL28127399 0.80 LRRK2 (0.51)
SCHEMBL28127716 0.80 LRRK2 (0.51)
SCHEMBL28127712 0.70 DYRK1A (0.43) NR3C1PGRWNT1DYRK1A
SCHEMBL28127717 0.69 DRD2 (0.51) NR3C1PGRWNT1DYRK1AMCHR1

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
CN-106535890-A 5-substituted indazole-3-carboxamides and preparation and use thereof 萨穆梅德有限公司 2017-03-22 CN claimed