SCHEMBL5774468

SCHEMBL5774468

COc1c(F)cc(F)cc1C(C)(C)CC(O)(C(CC(C)(CC(O)(C=O)C(F)(F)F)c1cc(F)cc(F)c1OC)Nc1cccc2[nH]ncc12)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 13/20 0.33
NR3C1 P04150 4/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
PGR P06401 3/20 0.32
NR3C2 P08235 2/20 0.32
DHPS P49366 1/20 0.32

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
SCHEMBL5779427 0.87 TRPV1 (0.35) TRPV1DHPS
SCHEMBL5779751 0.84 TRPV1 (0.34) TRPV1DHPS
SCHEMBL5774465 0.84 NR3C1 (0.46) TRPV1NR3C1NPC1LMNACYP1A2
SCHEMBL5797178 0.78 NR3C1 (0.51) TRPV1NR3C1PGRNR3C2
SCHEMBL5776235 0.71 NR3C1 (0.42) NR3C1PGRNR3C2
SCHEMBL5779425 0.71 NR3C1 (0.43) TRPV1NR3C1PGRDHPS
SCHEMBL6403409 0.70 NR3C1 (0.50) TRPV1NR3C1NPC1LMNACYP1A2
SCHEMBL5779746 0.68 NR3C1 (0.41) TRPV1NR3C1PGRNR3C2DHPS
SCHEMBL6408601 0.67 NR3C1 (0.53) TRPV1NR3C1NPC1LMNACYP1A2
SCHEMBL3533916 0.66 AXL (0.37) NR3C1PGRNR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1638945-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS Schering Aktiengesellschaft (DE) 2006-03-29 EP disclosed
WO-2005003098-A1 HETEROCYCLICALLY SUBSTITUTED PENTANOL DERIVATIVES, METHOD FOR THE PRODUCTION THEREOF, AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS SCHERING AKTIENGESELLSCHAFT (DE) 2005-01-13 WO disclosed