SCHEMBL3264902

SCHEMBL3264902

CC(C)Oc1cc(N(Cc2cccnc2)c2ccc(C(=O)OC(C)(C)C)cc2)ccc1OC(F)F.CC(C)Oc1cc(N(Cc2cnc[nH]2)c2ccc(C(=O)OC(C)(C)C)cc2)ccc1OC(F)F

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.36
TAAR1 Q96RJ0 2/20 0.35
PDE4B Q07343 1/20 0.35

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
SCHEMBL3214843 0.93 GRM2 (0.41) GRM2PDE4B
SCHEMBL4201416 0.90 PDE4B (0.41) GRM2PDE4B
SCHEMBL3126155 0.87 GRM2 (0.43) GRM2PDE4B
SCHEMBL3128977 0.86 ALDH1A1 (0.43) PDE4B
SCHEMBL3120607 0.84 PDE4B (0.39) GRM2PDE4B
SCHEMBL3126325 0.84 RXRA (0.38) PDE4B
SCHEMBL3263662 0.83 TAAR1 (0.43) TAAR1
SCHEMBL4196553 0.83 GRM2 (0.40) GRM2PDE4B
SCHEMBL3129936 0.82 KMT2A (0.39) GRM2PDE4B
SCHEMBL3121497 0.82 RXRA (0.48) GRM2PDE4B

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-2010003084-A2 PHOSPHODIESTERASE 4 INHIBITORS MEMORY PHARMACEUTICALS CORPORATION (US) 2010-01-07 WO disclosed