SCHEMBL20177940

SCHEMBL20177940

COc1ccc(COC(=O)N[C@@H]2/C(=N/OCCO)NC[C@H]2c2ccc(Cl)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 8/20 0.47
FPR2 P25090 8/20 0.47
REN P00797 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41
NAAA Q02083 2/20 0.39
ASAH1 Q13510 1/20 0.39
GPBAR1 Q8TDU6 1/20 0.38
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL18579062 0.92 KCNQ2 (0.43) FPR1FPR2POLBNAAAASAH1
SCHEMBL29434414 0.92 KCNQ2 (0.43) FPR1FPR2POLBNAAAASAH1
SCHEMBL21173988 0.92 KCNQ2 (0.43) FPR1FPR2POLBNAAAASAH1
SCHEMBL18106649 0.92 KCNQ2 (0.43) FPR1FPR2POLBNAAAASAH1
SCHEMBL20177941 0.89 FPR1 (0.43) FPR1FPR2RENSMN1; SMN2LMNA
SCHEMBL20177574 0.87 FPR1 (0.39) FPR1FPR2SMN1; SMN2LMNAPOLB
SCHEMBL20177900 0.87 FPR2 (0.42) FPR1FPR2NAAAASAH1
SCHEMBL20177734 0.84 KCNQ2 (0.37) FPR1FPR2SMN1; SMN2NAAAASAH1
SCHEMBL20177800 0.83 EDNRB (0.38) SMN1; SMN2NAAAASAH1PKMHTT
SCHEMBL20177684 0.83 FPR2 (0.43) FPR1FPR2SMN1; SMN2NAAAASAH1

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