SCHEMBL16372105

SCHEMBL16372105

Cc1cccnc1C(=O)NC1CCC1c1ccc(Cl)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRM5 P41594 2/20 0.55
▸ P2RX7 Q99572 5/20 0.44
▸ EPHX2 P34913 1/20 0.42
▸ DHODH Q02127 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ PDE4B Q07343 4/20 0.39
▸ PDE4D Q08499 3/20 0.39
▸ PDE4A P27815 2/20 0.39
▸ PDE4C Q08493 2/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ GRM1 Q13255 1/20 0.39
▸ ACKR3 P25106 1/20 0.39
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ TAS1R3 Q7RTX0 1/20 0.38
▸ TAS1R1 Q7RTX1 1/20 0.38
▸ TAS1R2 Q8TE23 1/20 0.38
▸ DPP4 P27487 1/20 0.38

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
SCHEMBL17799639 1.00 GRM5 (0.55) GRM5P2RX7EPHX2DHODHALDH1A1
SCHEMBL17799684 0.90 P2RX7 (0.44) GRM5P2RX7ALDH1A1SMN1; SMN2HCRTR1
SCHEMBL16371852 0.90 P2RX7 (0.44) GRM5P2RX7ALDH1A1SMN1; SMN2HCRTR1
SCHEMBL17799652 0.87 HCRTR1 (0.45) GRM5P2RX7ALDH1A1SMN1; SMN2HCRTR1
SCHEMBL16371880 0.87 GRM5 (0.40) GRM5P2RX7ALDH1A1SMN1; SMN2TAS1R3
SCHEMBL17799647 0.87 GRM5 (0.40) GRM5P2RX7ALDH1A1SMN1; SMN2TAS1R3
SCHEMBL17799688 0.86 HCRTR1 (0.48) GRM5P2RX7EPHX2HCRTR1
SCHEMBL17799715 0.85 P2RX7 (0.43) GRM5P2RX7ALDH1A1SMN1; SMN2ACKR3
SCHEMBL16372250 0.85 P2RX7 (0.43) GRM5P2RX7ALDH1A1SMN1; SMN2ACKR3
SCHEMBL19767307 0.84 HCRTR1 (0.43) GRM5P2RX7HCRTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3019476-A1 4-MEMBERED RING CARBOXAMIDES USED AS NEMATICIDES Syngenta Participations AG (CH) 2016-05-18 — — EP disclosed
WO-2015003951-A1 4-MEMBERED RING CARBOXAMIDES USED AS NEMATICIDES SYNGENTA PARTICIPATIONS AG (CH) 2015-01-15 — — WO disclosed
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