SCHEMBL17676502

SCHEMBL17676502

CCCCOc1cc(CC)ccc1Oc1ccc(N2CC(CN)OC2=O)cc1F

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 14/20 0.43
MAOB P27338 1/20 0.40

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
SCHEMBL13486352 0.91 CALML3 (0.48) GRM2MAOB
SCHEMBL3205152 0.88 GRM2 (0.48) GRM2
SCHEMBL14387034 0.87 GRM2 (0.44) GRM2MAOB
SCHEMBL13486332 0.87 GRM2 (0.39) GRM2MAOB
SCHEMBL3198649 0.85 CALML3 (0.46)
SCHEMBL13486335 0.81 IL6 (0.38)
SCHEMBL3197109 0.79 CALML3 (0.50) GRM2MAOB
SCHEMBL3209052 0.79 CALML3 (0.50) GRM2MAOB
SCHEMBL3200347 0.77 CALML3 (0.52) MAOB
SCHEMBL3198798 0.76 GRM2 (0.49) GRM2MAOB

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
US-9309179-B2 Hydroxyphenyl derivatives and biological applications thereof FAB PHARMA (FR) 2016-04-12 US disclosed