SCHEMBL3878291

SCHEMBL3878291

Fc1cccc(-c2cc(CNCCc3cccc(Cl)c3)ccc2Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 2/20 0.63
▸ CYP2D6 P10635 2/20 0.63
▸ CYP2C19 P33261 2/20 0.63
▸ CYP3A4 P08684 1/20 0.63
▸ ADRA1D P25100 1/20 0.52
▸ CYP2C9 P11712 1/20 0.49
▸ HDAC1 Q13547 1/20 0.48
▸ CHRM2 P08172 1/20 0.48
▸ NOS1 P29475 5/20 0.46
▸ MPO P05164 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ TAAR1 Q96RJ0 1/20 0.43
▸ NOS3 P29474 4/20 0.42
▸ NOS2 P35228 2/20 0.42
▸ NR1I3 Q14994 1/20 0.41

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
SCHEMBL5947594 0.77 CYP1A2 (0.64) CYP1A2CYP2D6CYP2C19CYP3A4ADRA1D
SCHEMBL3878289 0.74 CASR (0.57) KDM4E
SCHEMBL27614836 0.73 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C19CYP3A4HDAC1
SCHEMBL3959544 0.73 CYP1A2 (0.52) CYP1A2CYP2D6CYP2C19CYP3A4HDAC1
SCHEMBL2538044 0.71 CYP1A2 (0.62) CYP1A2CYP2D6CYP2C19CYP3A4HDAC1
SCHEMBL7774786 0.71 CHRM2 (0.81) CYP1A2CYP2D6CYP2C19CYP3A4ADRA1D
SCHEMBL5947672 0.71 CYP1A2 (0.70) CYP1A2CYP2D6CYP2C19CYP3A4ADRA1D
SCHEMBL3963736 0.71 CYP1A2 (0.55) CYP1A2CYP2D6CYP2C19CYP3A4HDAC1
SCHEMBL27614794 0.70 CYP1A2 (0.58) CYP1A2CYP2D6CYP2C19CYP3A4ADRA1D
SCHEMBL27614616 0.70 CYP1A2 (0.54) CYP1A2CYP2D6CYP2C19CYP3A4HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2010150-A2 STABLE EMULSION FORMULATIONS Amgen Inc. (US) 2009-01-07 — — EP claimed
WO-2007124465-A2 STABLE EMULSION FORMULATIONS AMGEN INC. (US) 2007-11-01 — — WO claimed
EP-2037736-A1 METHODS FOR TREATING CYSTIC KIDNEY DISEASES Indiana University Research and Technology Corporation (US) 2009-03-25 — — EP disclosed
WO-2008008650-A1 METHODS FOR TREATING CYSTIC KIDNEY DISEASES INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2008-01-17 — — WO disclosed
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