SCHEMBL7873916

SCHEMBL7873916

CCCc1cc(C(C)(C)NCCCc2ncc[nH]2)ccc1O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.37
TBXAS1 P24557 2/20 0.36
F2RL1 P55085 3/20 0.35
ESR1 P03372 2/20 0.34
ESR2 Q92731 2/20 0.34
NAMPT P43490 8/20 0.33
TERT O14746 1/20 0.33
PRSS1 P07477 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
SCHEMBL9368177 0.77 NAMPT (0.43) TBXAS1NAMPTTERT
SCHEMBL7875358 0.76 TBXAS1 (0.36) TBXAS1NAMPTTERT
SCHEMBL7868671 0.76 TAAR1 (0.43) TBXAS1NAMPTTERT
SCHEMBL7875230 0.76 TBXAS1 (0.37) TBXAS1NAMPTTERT
SCHEMBL7873879 0.74 TBXAS1 (0.38) TBXAS1NAMPT
SCHEMBL9020987 0.74 ADRB2 (0.38) F10TBXAS1F2RL1NAMPT
SCHEMBL9367836 0.73 TERT (0.41) TBXAS1NAMPTTERT
SCHEMBL7877347 0.73 ALDH1A1 (0.42) F10
SCHEMBL7877318 0.72 CA9 (0.41)
SCHEMBL7868545 0.72 TBXAS1 (0.39) TBXAS1NAMPT

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