SCHEMBL19563271

SCHEMBL19563271

CC(C)CC(OC(=O)Nc1ccc(Br)cc1)C(=O)NCCO

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 12/20 0.45
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
ALOX12 P18054 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
THRB P10828 1/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CTSK P43235 1/20 0.40
ALDH1A1 P00352 1/20 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
SCHEMBL18089387 1.00 FPR2 (0.45) FPR2LMNAMAPTALOX12SMN1; SMN2
SCHEMBL19547869 0.90 FPR2 (0.47) FPR2LMNAMAPTALOX12SMN1; SMN2
SCHEMBL18064435 0.89 FPR2 (0.44) FPR2LMNAMAPTALOX12SMN1; SMN2
SCHEMBL16748807 0.89 FPR2 (0.44) FPR2LMNAMAPTALOX12SMN1; SMN2
SCHEMBL19547845 0.88 FPR2 (0.49) FPR2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL19547876 0.86 FPR2 (0.49) FPR2SMN1; SMN2NPC1RAB9AMEN1
SCHEMBL16742481 0.85 FPR2 (0.47) FPR2NPC1RAB9AMEN1KMT2A
SCHEMBL19563289 0.85 FPR2 (0.47) FPR2NPC1RAB9AMEN1KMT2A
SCHEMBL16748862 0.85 FPR2 (0.48) FPR2LMNAMAPTMEN1KMT2A
SCHEMBL16748910 0.85 CDK1 (0.48) FPR2LMNAMEN1KMT2ACTSK

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-3071548-B1 PHENYLCARBAMATE DERIVATIVES AS FORMYL PEPTIDE RECEPTOR MODULATORS ALLERGAN INC (US) 2017-11-08 EP disclosed