SCHEMBL7897498

SCHEMBL7897498

CN1CC(S(=O)(=O)NC2CCc3cc(Cc4cc(CO)cc(C(F)(F)F)c4)ccc32)C(C(F)(F)F)=N1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GRIA2 P42262 5/20 0.46
TRPV1 Q8NER1 4/20 0.36
CCR2 P41597 5/20 0.35
CYP11B1 P15538 2/20 0.33
CYP11B2 P19099 2/20 0.33
BDKRB1 P46663 4/20 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
SCHEMBL7899532 0.84 GRIA2 (0.44) GRIA2
SCHEMBL7898940 0.83 GRIA2 (0.58) GRIA2TRPV1CCR2CYP11B1CYP11B2
SCHEMBL7898318 0.80 GRIA2 (0.47) GRIA2TRPV1CCR2CYP11B1CYP11B2
SCHEMBL11898515 0.78 GRIA2 (0.70) GRIA2TRPV1CCR2BDKRB1
SCHEMBL7903113 0.75 GRIA2 (0.43) GRIA2TRPV1CCR2BDKRB1
SCHEMBL7897262 0.75 GRIA2 (0.43) GRIA2TRPV1CCR2
SCHEMBL15327849 0.74 TRPV1 (0.46) GRIA2TRPV1CCR2BDKRB1
SCHEMBL15338340 0.74 CCR2 (0.40) GRIA2TRPV1CCR2
SCHEMBL7899877 0.74 HTR1A (0.44) GRIA2TRPV1CCR2BDKRB1
SCHEMBL7897265 0.71 GRIA2 (0.36) GRIA2TRPV1CCR2BDKRB1

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-2010115952-A1 INDANE DERIVATIVES N.V. ORGANON (NL) 2010-10-14 WO disclosed