SCHEMBL7875247

SCHEMBL7875247

CC(C)(NCCCn1cnc(CCNC(=O)c2ccccc2)c1)c1ccc(Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESRRG P62508 1/20 0.42
TP53 P04637 1/20 0.41
TMEM97 Q5BJF2 2/20 0.41
SIGMAR1 Q99720 2/20 0.41
MAPT P10636 2/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NAMPT P43490 1/20 0.39
ALDH1A1 P00352 1/20 0.38
FABP2 P12104 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
PPARA Q07869 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL7877299 0.84 TP53 (0.40) ESRRGTP53TMEM97SIGMAR1MAPT
SCHEMBL7877070 0.83 ESRRG (0.41) ESRRGMAPTMEN1KMT2ANPC1
SCHEMBL7876986 0.82 ALDH1A1 (0.41) TP53TMEM97SIGMAR1MAPTMEN1
SCHEMBL7873908 0.81 NPC1 (0.42) ESRRGMAPTMEN1KMT2ANPC1
SCHEMBL7868474 0.81 CYP2C9 (0.40)
SCHEMBL8444492 0.81 QPCTL (0.37) MAPTSMN1; SMN2
Hydrochloric Acid SCHEMBL7873720 0.80 TDP1 (0.41)
SCHEMBL9021148 0.77 TP53 (0.45) ESRRGTP53TMEM97SIGMAR1MAPT
SCHEMBL7868627 0.76 MAPT (0.47) TP53MAPTMEN1KMT2ANPC1
SCHEMBL7868567 0.75 NOS3 (0.42) TMEM97SIGMAR1MAPTMEN1KMT2A

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