SCHEMBL13753003

SCHEMBL13753003

CCNC(=O)c1cc(C(F)(F)F)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 2/20 0.58
SORT1 Q99523 3/20 0.45
ALDH1A1 P00352 2/20 0.44
POLB P06746 1/20 0.44
TMPRSS4 Q9NRS4 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
CES2 O00748 1/20 0.44
EPHX2 P34913 1/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 2/20 0.43
LMNA P02545 2/20 0.42
TRPA1 O75762 1/20 0.42
PDE2A O00408 1/20 0.42
HTT P42858 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
PSMB11 A5LHX3 1/20 0.41
PSMA7 O14818 1/20 0.41
PSMB1 P20618 1/20 0.41
PSMA1 P25786 1/20 0.41

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
SCHEMBL13753112 0.88 POLB (0.59) DDR1SORT1ALDH1A1POLBEPHX2
SCHEMBL13752999 0.88 PPARD (0.50) DDR1KDM4EHTTRXFP1
SCHEMBL13753088 0.84 CES2 (0.60) DDR1SORT1ALDH1A1POLBTMPRSS4
SCHEMBL4817422 0.84 DDR1 (0.52) DDR1SORT1ALDH1A1TMPRSS4TRPV1
SCHEMBL7363177 0.83 MLYCD (0.54) DDR1ALDH1A1POLBEPHX2HPGD
SCHEMBL21841270 0.83 DDR1 (0.51) DDR1SORT1TMPRSS4TRPV1MRGPRX4
SCHEMBL13754025 0.83 CCR2 (0.52) ALDH1A1KDM4EHPGD
SCHEMBL13753890 0.83 JAK2 (0.57) DDR1MRGPRX4HPGDLMNA
SCHEMBL14214021 0.82 KDM4E (0.53) DDR1SORT1ALDH1A1POLBTMPRSS4
SCHEMBL13753082 0.81 CES2 (0.60) SORT1ALDH1A1POLBMRGPRX4CES2

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
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7576117-B1 Cyclic amine CCR3 antagonist TEIJIN LIMITED (JP) 2009-08-18 US disclosed
US-7390830-B1 Remedies or prophylactics for diseases in association with chemokines TEIJIN LIMITED (JP) 2008-06-24 US disclosed