SCHEMBL31047351

SCHEMBL31047351

Cn1c(N2CCC(F)(F)CC2)nc2c(NC(=O)OC(C)(C)C)cccc21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.37
▸ FSHR P23945 1/20 0.37
▸ AKT1 P31749 1/20 0.36
▸ AKT2 P31751 1/20 0.36
▸ AKT3 Q9Y243 1/20 0.36
▸ OPRM1 P35372 1/20 0.36
▸ OPRD1 P41143 1/20 0.36
▸ OGFRL1 Q5TC84 1/20 0.36
▸ IDH1 O75874 1/20 0.35
▸ IDH2 P48735 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ KCNQ3 O43525 1/20 0.35
▸ KCNQ2 O43526 1/20 0.35
▸ MAPT P10636 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ NPSR1 Q6W5P4 1/20 0.35
▸ ACACB O00763 1/20 0.35
▸ HTT P42858 1/20 0.35

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
SCHEMBL31047350 1.00 TSHR (0.37) TSHRFSHRAKT1AKT2AKT3
SCHEMBL31047340 0.85 IDH1 (0.37) TSHRFSHROPRM1OPRD1OGFRL1
SCHEMBL31047342 0.85 IDH1 (0.37) TSHRFSHROPRM1OPRD1OGFRL1
SCHEMBL31613833 0.77 RXFP1 (0.36) TSHRFSHROPRM1OPRD1OGFRL1
SCHEMBL31047339 0.75 KIF18A (0.51) —
SCHEMBL31047343 0.75 OPRM1 (0.43) OPRM1OPRD1OGFRL1IDH1RXFP1
SCHEMBL27362170 0.73 GSK3B (0.37) TSHRFSHROPRM1OPRD1OGFRL1
SCHEMBL31613842 0.71 OPRM1 (0.39) OPRM1OPRD1OGFRL1RXFP1MAPT
SCHEMBL30842139 0.71 TGFBR1 (0.49) OPRM1OPRD1OGFRL1RXFP1KMT2A
SCHEMBL31047346 0.71 OPRM1 (0.41) OPRM1OPRD1OGFRL1IDH1RXFP1

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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