SCHEMBL19771728

SCHEMBL19771728

O=C(NC1CC[C@H]1c1ccc(Cl)cc1Cl)c1cccnc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ACKR3 P25106 3/20 0.42
▸ P2RX7 Q99572 6/20 0.41
▸ HCRTR1 O43613 8/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.39
▸ CNR2 P34972 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
SCHEMBL21273811 1.00 ACKR3 (0.42) ACKR3P2RX7HCRTR1HDAC6CNR2
SCHEMBL29687045 1.00 ACKR3 (0.42) ACKR3P2RX7HCRTR1HDAC6CNR2
SCHEMBL21273819 1.00 ACKR3 (0.42) ACKR3P2RX7HCRTR1HDAC6CNR2
SCHEMBL29367888 1.00 ACKR3 (0.42) ACKR3P2RX7HCRTR1HDAC6CNR2
SCHEMBL16372435 1.00 ACKR3 (0.42) ACKR3P2RX7HCRTR1HDAC6CNR2
SCHEMBL30704818 1.00 ACKR3 (0.42) ACKR3P2RX7HCRTR1HDAC6CNR2
SCHEMBL24543387 1.00 ACKR3 (0.42) ACKR3P2RX7HCRTR1HDAC6CNR2
Water SCHEMBL22686581 0.99 ACKR3 (0.42) ACKR3P2RX7HCRTR1HDAC6CNR2
Water SCHEMBL30477660 0.99 ACKR3 (0.42) ACKR3P2RX7HCRTR1HDAC6CNR2
Water SCHEMBL28425272 0.99 ACKR3 (0.42) ACKR3P2RX7HCRTR1HDAC6CNR2

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
US-9867371-B2 4-membered ring carboxamides used as nematicides SYNGENTA PARTICIPATIONS AG (CH) 2018-01-16 — — US disclosed
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