SCHEMBL31746903

SCHEMBL31746903

C[C@@H](NC(=O)Cn1ccc2cccc(Nc3ccc4c(cnn4C)c3)c2c1=O)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 1/20 0.41
NTSR1 P30989 3/20 0.39
NOTUM Q6P988 1/20 0.38
SYK P43405 1/20 0.36
TRPV1 Q8NER1 2/20 0.36
ELANE P08246 5/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
RAB9A P51151 1/20 0.35
PSMB1 P20618 1/20 0.35
PSMB5 P28074 1/20 0.35
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
MAOB P27338 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34

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
SCHEMBL25073780 1.00 GRIN2B (0.41) GRIN2BNTSR1NOTUMSYKTRPV1
SCHEMBL25073854 1.00 GRIN2B (0.41) GRIN2BNTSR1NOTUMSYKTRPV1
SCHEMBL31746965 1.00 GRIN2B (0.41) GRIN2BNTSR1NOTUMSYKTRPV1
SCHEMBL25073916 1.00 GRIN2B (0.41) GRIN2BNTSR1NOTUMSYKTRPV1
SCHEMBL31746907 1.00 GRIN2B (0.41) GRIN2BNTSR1NOTUMSYKTRPV1
SCHEMBL25073924 0.92 NTSR1 (0.38) NTSR1NOTUMSYKTRPV1ELANE
SCHEMBL31746898 0.92 NTSR1 (0.38) NTSR1NOTUMSYKTRPV1ELANE
SCHEMBL31746934 0.91 IRAK4 (0.40) NTSR1NOTUMSYKTRPV1IRAK4
SCHEMBL25073758 0.91 IRAK4 (0.40) NTSR1NOTUMSYKTRPV1IRAK4
SCHEMBL25073749 0.90 IRAK4 (0.37) NTSR1NOTUMSYKTRPV1ELANE

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
EP-4387963-B1 PHENYL- AND PYRIDOPYRAZOLE DERIVATIVES AS INHIBITORS OF DDR1 REDX PHARMA LTD (GB) 2025-12-24 EP disclosed