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Sugi Predict / Compounds / SCHEMBL24671510

SCHEMBL24671510

SCHEMBL24671510

COc1cc(NC(=O)c2ccc(C3=CCN(C=NC(=O)OC(C)(C)C)CC3)cc2)ccc1C1=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 8/20 0.41
▸ ABCB1 P08183 8/20 0.38
▸ MCHR1 Q99705 2/20 0.35
▸ HTR1D P28221 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
SCHEMBL24670803 0.94 NAMPT (0.38) NAMPTABCB1MCHR1HTR1D
SCHEMBL24670832 0.93 MAPT (0.37) NAMPTABCB1MCHR1
SCHEMBL24669435 0.93 NAMPT (0.42) NAMPTABCB1MCHR1HTR1D
SCHEMBL24669444 0.93 NAMPT (0.42) NAMPTABCB1MCHR1HTR1D
SCHEMBL24671259 0.92 NAMPT (0.38) NAMPTABCB1
SCHEMBL24670242 0.91 NPC1 (0.35) NAMPTABCB1MCHR1
SCHEMBL24669528 0.90 NPY2R (0.39) NAMPTABCB1HTR1D
SCHEMBL24670937 0.89 NAMPT (0.34) NAMPTABCB1
SCHEMBL24671554 0.89 NAMPT (0.34) NAMPTABCB1
SCHEMBL24670179 0.87 HTR1D (0.38) NAMPTABCB1MCHR1HTR1D

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-2022192162-A1 NOVEL HETEROAROMATIC COMPOUNDS EXHIBITING ANTIFUNGAL ACTIVITY AND THEIR METHOD OF USE FOX CHASE CHEMICAL DIVERSITY CENTER, INC. (US) 2022-09-15 — — WO disclosed