SCHEMBL7868545

SCHEMBL7868545

CNC(=O)Cc1ccc(C(C)(C)NCCCc2ncc[nH]2)cc1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 2/20 0.39
NAMPT P43490 10/20 0.37
ESRRB O95718 1/20 0.36
ESRRG P62508 1/20 0.36
HDAC4 P56524 1/20 0.35
HRH4 Q9H3N8 2/20 0.35
RET P07949 1/20 0.34
GAA P10253 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL7868667 0.86 TRPV1 (0.43) TBXAS1NAMPTESRRBESRRGHDAC4
SCHEMBL7875230 0.83 TBXAS1 (0.37) TBXAS1NAMPTHRH4
SCHEMBL9021023 0.80 HPGD (0.48) TBXAS1NAMPTGAASMN1; SMN2
SCHEMBL9368177 0.79 NAMPT (0.43) TBXAS1NAMPT
SCHEMBL7868671 0.79 TAAR1 (0.43) TBXAS1NAMPTHRH4GAASMN1; SMN2
SCHEMBL7879544 0.78 ALDH1A1 (0.44) TBXAS1NAMPTSMN1; SMN2
SCHEMBL7873879 0.77 TBXAS1 (0.38) TBXAS1NAMPT
SCHEMBL7875358 0.76 TBXAS1 (0.36) TBXAS1NAMPTHRH4
SCHEMBL9367836 0.76 TERT (0.41) TBXAS1NAMPT
SCHEMBL7876928 0.75 NPC1 (0.44) NAMPTHDAC4SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6326500-B1 ANTIINFLAMMATORY AGENTS; ANTIALLERGENS ABBOTT LABORATORIES 2001-12-04 US disclosed
US-6215001-B1 ANTIINFLAMMATORY AGENTS, ANTIASTHMATICS, AND ANTIALLERGENS; SIDE EFFECT REDUCTION KNOLL AKTIENGESELLSCHAFT (DE) 2001-04-10 US disclosed
US-6031109-A Phenoxy-, phenylthio-, benzoyl-alkyleneaminoalkylene-imidazole derivatives as therapeutic agents KNOLL AKTIENGESELLSCHAFT (DE) 2000-02-29 US disclosed
EP-0705251-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000493-A1 IMIDAZOLE DERIVATIVES AS THERAPEUTIC AGENTS KNOLL AG (DE) 1995-01-05 WO disclosed