SCHEMBL31047346

SCHEMBL31047346

CC(C)(C)OC(=O)Nc1cccc2c1nc(CC(F)(F)F)n2C1CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.41
▸ OPRD1 P41143 3/20 0.41
▸ OGFRL1 Q5TC84 3/20 0.41
▸ GFER P55789 1/20 0.38
▸ CCR3 P51677 1/20 0.38
▸ EGFR P00533 1/20 0.37
▸ RXFP1 Q9HBX9 1/20 0.37
▸ OPRK1 P41145 2/20 0.36
▸ BRD4 O60885 8/20 0.36
▸ CREBBP Q92793 4/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ METAP1 P53582 1/20 0.35
▸ P2RX7 Q99572 1/20 0.35
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ IDH1 O75874 1/20 0.34

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
SCHEMBL31047343 0.85 OPRM1 (0.43) OPRM1OPRD1OGFRL1GFEREGFR
SCHEMBL30842139 0.78 TGFBR1 (0.49) OPRM1OPRD1OGFRL1GFERRXFP1
SCHEMBL31047350 0.71 TSHR (0.37) OPRM1OPRD1OGFRL1RXFP1BRD4
SCHEMBL31047351 0.71 TSHR (0.37) OPRM1OPRD1OGFRL1RXFP1BRD4
SCHEMBL3825019 0.69 TLR7 (0.42) BRD4P2RX7
SCHEMBL30842143 0.69 OPRM1 (0.40) OPRM1OPRD1OGFRL1RXFP1OPRK1
SCHEMBL31613842 0.68 OPRM1 (0.39) OPRM1OPRD1OGFRL1RXFP1BRD4
SCHEMBL31613833 0.68 RXFP1 (0.36) OPRM1OPRD1OGFRL1RXFP1BRD4
SCHEMBL31613824 0.68 POLB (0.40) OPRM1OPRD1OGFRL1BRD4METAP1
SCHEMBL30842140 0.67 POLB (0.42) OPRM1OPRD1OGFRL1LMNAPOLB

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-2024149189-A1 AROMATIC AMIDE DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江海正药业股份有限公司 2024-07-18 — — WO disclosed
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