SCHEMBL24914867

SCHEMBL24914867

C#CCN(C(=O)c1ccccc1)c1cccc(C(=O)Nc2c(C)cc(C(F)(C(F)(F)F)C(F)(F)F)cc2C)c1F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C8 P10632 1/20 0.35
CYP2B6 P20813 1/20 0.35
PTGER4 P35408 2/20 0.34
KCNK3 O14649 3/20 0.34
KCNK9 Q9NPC2 3/20 0.34
POLQ O75417 1/20 0.34
P2RX1 P51575 1/20 0.33
KDM4E B2RXH2 1/20 0.32
PTGES O14684 1/20 0.32
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL24914497 0.87 POLQ (0.38) KCNK3KCNK9POLQPTGESRXFP1
SCHEMBL24914496 0.87 POLQ (0.38) KCNK3KCNK9POLQPTGESRXFP1
SCHEMBL21563473 0.85 GPBAR1 (0.38) POLBTSHRPTGER4KCNK3KCNK9
SCHEMBL12570072 0.85 POLB (0.35) POLBTSHRPTGER4KCNK3KCNK9
SCHEMBL12548913 0.84 POLB (0.40) POLBPTGER4KCNK3KCNK9P2RX1
SCHEMBL24914657 0.83 POLQ (0.42) POLBKCNK3KCNK9POLQKDM4E
SCHEMBL30266971 0.81 GPBAR1 (0.35) KCNK3KCNK9POLQRXFP1GPBAR1
SCHEMBL23716797 0.81 GPBAR1 (0.35) KCNK3KCNK9POLQRXFP1GPBAR1
SCHEMBL23716447 0.81 GPBAR1 (0.36) POLBKCNK3KCNK9POLQP2RX1
SCHEMBL24914849 0.81 POLQ (0.34) KCNK3KCNK9POLQPTGES

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-2023284645-A1 AMIDE COMPOUND AND USE THEREOF 沈阳化工大学 2023-01-19 WO disclosed