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SCHEMBL24891769

SCHEMBL24891769

CC(C)(C)OC(=O)N1CC=C(c2ccc(NC(=O)C34CCC(C(=O)O)(CC3)CC4)nn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ GRM1 Q13255 11/20 0.52
▸ GRM5 P41594 10/20 0.52
▸ NAMPT P43490 1/20 0.44
▸ WNT3A P56704 1/20 0.44
▸ JAK1 P23458 1/20 0.43
▸ PDK4 Q16654 1/20 0.43
▸ CDK7 P50613 1/20 0.42
▸ CDK13 Q14004 1/20 0.42
▸ CDK12 Q9NYV4 1/20 0.42
▸ HTR6 P50406 1/20 0.42
▸ DGAT2 Q96PD7 1/20 0.39

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
SCHEMBL30182513 1.00 GRM1 (0.52) GRM1GRM5NAMPTWNT3AJAK1
SCHEMBL24891852 0.92 GRM1 (0.48) GRM1GRM5NAMPTWNT3AJAK1
SCHEMBL30182454 0.92 GRM1 (0.48) GRM1GRM5NAMPTWNT3AJAK1
SCHEMBL24891873 0.86 GRM1 (0.48) GRM1GRM5NAMPTWNT3AJAK1
SCHEMBL24892050 0.85 WNT3A (0.46) GRM1GRM5NAMPTWNT3AJAK1
SCHEMBL30182151 0.85 WNT3A (0.46) GRM1GRM5NAMPTWNT3AJAK1
SCHEMBL24891853 0.83 GRM1 (0.57) GRM1GRM5NAMPTWNT3AJAK1
SCHEMBL30182402 0.82 GRM1 (0.52) GRM1GRM5NAMPTWNT3AJAK1
SCHEMBL24891810 0.82 GRM1 (0.52) GRM1GRM5NAMPTWNT3AJAK1
SCHEMBL2264461 0.82 GRM1 (0.56) GRM1GRM5NAMPTWNT3AJAK1

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