SCHEMBL24671214

SCHEMBL24671214

Cc1cc(NC(=O)c2ccc(C3=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC3)cc2C(F)(F)F)ccc1C1=CCN(C(=NC(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 6/20 0.39
NAMPT P43490 3/20 0.39
SOS1 Q07889 1/20 0.38
WDR5 P61964 5/20 0.36
LIMK1 P53667 1/20 0.33
LIMK2 P53671 1/20 0.33
PRMT5 O14744 1/20 0.33
WDR77 Q9BQA1 1/20 0.33
APOB P04114 1/20 0.33
MTTP P55157 1/20 0.33
MMP2 P08253 1/20 0.33
MMP3 P08254 1/20 0.33
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33

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
SCHEMBL29803513 1.00 TRPV1 (0.39) TRPV1NAMPTSOS1WDR5LIMK1
SCHEMBL29803297 0.93 WDR5 (0.41) TRPV1NAMPTSOS1WDR5
SCHEMBL24670307 0.93 WDR5 (0.41) TRPV1NAMPTSOS1WDR5
SCHEMBL24670309 0.93 WDR5 (0.41) TRPV1NAMPTSOS1WDR5
SCHEMBL29803599 0.92 NAMPT (0.41) TRPV1NAMPTPRMT5WDR77
SCHEMBL24671289 0.87 NAMPT (0.40) TRPV1NAMPTSOS1WDR5PRMT5
SCHEMBL29803446 0.87 NAMPT (0.40) TRPV1NAMPTSOS1WDR5PRMT5
SCHEMBL24671356 0.87 NAMPT (0.40) TRPV1NAMPTSOS1WDR5PRMT5
SCHEMBL24670731 0.86 NAMPT (0.50) TRPV1NAMPTSOS1WDR5LIMK1
SCHEMBL29803437 0.86 NAMPT (0.50) TRPV1NAMPTSOS1WDR5LIMK1

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