SCHEMBL20177810

SCHEMBL20177810

COc1ccc(COC(=O)N[C@@H]2C(=O)NC[C@H]2c2ccc3c(c2)CCO3)cc1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 6/20 0.44
FPR2 P25090 6/20 0.44
NAAA Q02083 11/20 0.44
ASAH1 Q13510 2/20 0.43
EDNRB P24530 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
SCHEMBL20177552 0.91 EDNRB (0.40) NAAAASAH1EDNRB
SCHEMBL20177800 0.85 EDNRB (0.38) NAAAASAH1EDNRB
SCHEMBL20177571 0.82 EDNRB (0.38) NAAAASAH1EDNRB
SCHEMBL20177511 0.81 FPR2 (0.67) FPR1FPR2NAAAASAH1
SCHEMBL20177842 0.81 FPR1 (0.53) FPR1FPR2NAAAASAH1
SCHEMBL18117743 0.80 FPR1 (0.55) FPR1FPR2NAAAASAH1
SCHEMBL18117749 0.80 FPR1 (0.55) FPR1FPR2NAAAASAH1
SCHEMBL18578943 0.80 FPR1 (0.55) FPR1FPR2NAAAASAH1
SCHEMBL29434213 0.80 FPR1 (0.55) FPR1FPR2NAAAASAH1
SCHEMBL20177489 0.78 FPR2 (0.44) FPR2EDNRB

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