SCHEMBL5183952

SCHEMBL5183952

COc1cc(F)c(C(Cl)C(C)O)cc1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MGAM O43451 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ SI P14410 1/20 0.39
▸ MGAM2 Q2M2H8 1/20 0.39
▸ P2RX3 P56373 1/20 0.36
▸ P2RX2 Q9UBL9 1/20 0.36
▸ STING1 Q86WV6 1/20 0.35
▸ MAPK1 P28482 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ CYP2D6 P10635 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA1A P35348 1/20 0.32
▸ AKT1 P31749 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ BLM P54132 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ ERN1 O75460 1/20 0.31

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
SCHEMBL1682725 0.81 PDE2A (0.35) ADRA2AADRA1ABLM
SCHEMBL12190518 0.77 P2RX3 (0.48) MGAMGAASIMGAM2P2RX3
SCHEMBL2937347 0.72 LMNA (0.46) P2RX3P2RX2MAPK1LMNAHTT
SCHEMBL5184653 0.71 CA1 (0.46) MGAMGAASIMGAM2LMNA
SCHEMBL23666032 0.70 GAA (0.48) MGAMGAASIMGAM2P2RX3
SCHEMBL16160619 0.69 P2RX3 (0.41) GAAP2RX3P2RX2MAPK1LMNA
SCHEMBL26402157 0.69 P2RX3 (0.36) GAAP2RX3P2RX2STING1HTT
SCHEMBL20794220 0.68 GAA (0.43) MGAMGAASIMGAM2P2RX3
SCHEMBL2001415 0.68 LMNA (0.43) P2RX3P2RX2MAPK1LMNAHTT
SCHEMBL16173475 0.68 CYP3A4 (0.43) MAPK1LMNAHTTRAB9A

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-1844026-A2 MORPHOLINES AS 5HT2C AGONISTS F.HOFFMANN-LA ROCHE AG (CH) 2007-10-17 — — EP disclosed
WO-2006077025-A2 MORPHOLINES AS 5HT2C AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2006-07-27 — — WO disclosed
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