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SCHEMBL30182151

SCHEMBL30182151

CC(C)(C)OC(=O)NCc1ccc(NC(=O)C23CCC(C(=O)Nc4ccc(C5=CCN(C(=O)OC(C)(C)C)CC5)nn4)(CC2)CC3)cc1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ WNT3A P56704 1/20 0.46
▸ GRM1 Q13255 10/20 0.44
▸ GRM5 P41594 9/20 0.44
▸ NAMPT P43490 2/20 0.44
▸ KIT P10721 2/20 0.41
▸ DGAT2 Q96PD7 1/20 0.39
▸ FPR3 P25089 1/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ JAK1 P23458 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
SCHEMBL24892050 1.00 WNT3A (0.46) WNT3AGRM1GRM5NAMPTKIT
SCHEMBL30182703 0.95 WNT3A (0.46) WNT3AGRM1GRM5NAMPTKIT
SCHEMBL24892343 0.95 WNT3A (0.46) WNT3AGRM1GRM5NAMPTKIT
SCHEMBL24892019 0.89 WNT3A (0.49) WNT3AGRM1GRM5NAMPTKIT
SCHEMBL24891816 0.89 NAMPT (0.47) WNT3AGRM1GRM5NAMPTKIT
SCHEMBL24891783 0.87 NAMPT (0.57) WNT3AGRM1GRM5NAMPTKIT
SCHEMBL24892192 0.86 NAMPT (0.51) WNT3AGRM1GRM5NAMPTKIT
SCHEMBL24891769 0.85 GRM1 (0.52) WNT3AGRM1GRM5NAMPTDGAT2
SCHEMBL30182513 0.85 GRM1 (0.52) WNT3AGRM1GRM5NAMPTDGAT2
SCHEMBL24891865 0.84 NAMPT (0.55) WNT3AGRM1GRM5NAMPTKIT

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-2023287736-A1 NOVEL BIS-AMIDE CONTAINING COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2023-01-19 — — WO disclosed