SCHEMBL28976619

SCHEMBL28976619

CCc1cnc(C)c(C(N)=O)c1C1CCC(F)(F)CC1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 2/20 0.37
▸ MAOB P27338 2/20 0.37
▸ SCN10A Q9Y5Y9 1/20 0.32
▸ OPRM1 P35372 1/20 0.32
▸ CCR5 P51681 2/20 0.32
▸ DGAT1 O75907 3/20 0.32
▸ PARP1 P09874 2/20 0.31
▸ LNPEP Q9UIQ6 2/20 0.31
▸ MAPK8 P45983 1/20 0.31
▸ PARP2 Q9UGN5 1/20 0.31
▸ P2RX7 Q99572 2/20 0.31
▸ HTR1A P08908 1/20 0.30
▸ DRD2 P14416 1/20 0.30
▸ DRD4 P21917 1/20 0.30
▸ KCNH2 Q12809 1/20 0.30
▸ HSD11B1 P28845 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
SCHEMBL28976932 0.86 KDM1A (0.39) KDM1AMAOBSCN10AOPRM1CCR5
SCHEMBL28976385 0.85 KDM1A (0.38) KDM1AMAOBSCN10AOPRM1CCR5
SCHEMBL28976390 0.84 KDM1A (0.38) KDM1AMAOBSCN10AOPRM1CCR5
SCHEMBL28976422 0.81 KDM1A (0.36) KDM1AMAOBSCN10AOPRM1DGAT1
SCHEMBL28976512 0.80 IRAK4 (0.35) KDM1AMAOB
SCHEMBL28976327 0.78 KDM1A (0.41) KDM1AMAOBSCN10AOPRM1CCR5
SCHEMBL28976466 0.77 PARP1 (0.33) KDM1AMAOBSCN10AOPRM1PARP1
SCHEMBL28976950 0.75 KDM1A (0.41) KDM1AMAOBSCN10AOPRM1DGAT1
SCHEMBL28976710 0.74 KDM1A (0.41) KDM1AMAOBSCN10AOPRM1DGAT1
SCHEMBL28976746 0.71 POLB (0.33) OPRM1

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-115884810-A Imidazopyridazines as IL-17 modulators 詹森药业有限公司 2023-03-31 — — CN disclosed
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