SCHEMBL18322902

SCHEMBL18322902

COc1ccc2ncc(-c3ccc(OC4CCN(CCC=O)CC4)cc3)cc2c1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 4/20 0.47
PDGFRA P16234 4/20 0.47
HRH3 Q9Y5N1 4/20 0.42
KCNH2 Q12809 3/20 0.42
ADRA1A P35348 1/20 0.42
ALDH1A1 P00352 1/20 0.38
F2 P00734 1/20 0.38
GLA P06280 1/20 0.38
HPGD P15428 1/20 0.38
MAP4K1 Q92918 1/20 0.37
CHEK2 O96017 1/20 0.36
CCR3 P51677 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVR1 Q04771 1/20 0.36
CNR2 P34972 1/20 0.36
ALKBH5 Q6P6C2 1/20 0.36
FTO Q9C0B1 1/20 0.36
ACACB O00763 1/20 0.36

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
SCHEMBL18322866 0.92 PDGFRB (0.47) PDGFRBPDGFRAHRH3KCNH2ADRA1A
SCHEMBL18322938 0.87 CHRNB1 (0.43) PDGFRBPDGFRAHRH3KCNH2ADRA1A
SCHEMBL18322967 0.85 PDGFRB (0.52) PDGFRBPDGFRAHRH3KCNH2ADRA1A
SCHEMBL18322896 0.85 HRH3 (0.38) PDGFRBPDGFRAHRH3KCNH2MAP4K1
SCHEMBL18322886 0.83 TGFBR1 (0.44) HRH3TGFBR1ACVR1
SCHEMBL18322937 0.80 PRKCZ (0.41) PDGFRBPDGFRAHRH3
SCHEMBL18319021 0.80 PIK3CA (0.51) PDGFRBPDGFRA
SCHEMBL18318241 0.79 PDGFRB (0.50) PDGFRBPDGFRAHRH3ALDH1A1F2
SCHEMBL18322946 0.78 HTR7 (0.37) HRH3KCNH2ADRA1ACHEK2
SCHEMBL18322916 0.78 GSK3B (0.45)

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-3310441-A1 1, 4-SUBSTITUTED PIPERIDINE DERIVATIVES Cephalon, Inc. (US) 2018-04-25 EP disclosed
WO-2016205633-A1 1, 4-SUBSTITUTED PIPERIDINE DERIVATIVES CEPHALON, INC. (US) 2016-12-22 WO disclosed