SCHEMBL20177720

SCHEMBL20177720

O=C(N[C@@H]1C(=S)NC[C@H]1c1c(F)cc(Cl)cc1F)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
FPR2 P25090 3/20 0.40
FPR1 P21462 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CCKBR P32239 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL20177919 0.90 KDM1A (0.41) NAAAFPR2FPR1ALDH1A1GAA
SCHEMBL20177510 0.89 FPR2 (0.52) NAAAFPR2FPR1
SCHEMBL20177501 0.89 FPR2 (0.47) NAAAFPR2FPR1
SCHEMBL20177629 0.88 FPR2 (0.54) FPR2FPR1
SCHEMBL20177658 0.80 FPR2 (0.48) NAAAFPR2FPR1ALDH1A1
SCHEMBL20177604 0.79 FPR2 (0.47) NAAAFPR2FPR1ALDH1A1
SCHEMBL20177567 0.79 FPR2 (0.52) NAAAFPR2FPR1
SCHEMBL20177894 0.78 FPR2 (0.59) FPR2FPR1
SCHEMBL20177518 0.78 CCKBR (0.41) NAAAALDH1A1GAACCKBR
SCHEMBL20177914 0.78 FPR1 (0.43) NAAAFPR2FPR1

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
WO-2018092916-A1 NITROGEN-CONTAINING POLYCYCLIC HETEROCYCLIC DERIVATIVE 宇部興産株式会社 2018-05-24 WO disclosed