SCHEMBL18322967

SCHEMBL18322967

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

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDGFRB P09619 7/20 0.52
PDGFRA P16234 7/20 0.52
HRH3 Q9Y5N1 5/20 0.43
KCNH2 Q12809 3/20 0.43
ADRA1A P35348 1/20 0.43
ALDH1A1 P00352 1/20 0.41
F2 P00734 1/20 0.41
GLA P06280 1/20 0.41
HPGD P15428 1/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
MAP4K1 Q92918 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PDE3B Q13370 1/20 0.38
PDE3A Q14432 1/20 0.38
PDE10A Q9Y233 1/20 0.38
FDFT1 P37268 1/20 0.37
CHEK2 O96017 1/20 0.37

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
SCHEMBL30497909 0.87 CA12 (0.44) PDGFRBPDGFRAHRH3KCNH2ADRA1A
SCHEMBL18318859 0.87 CA12 (0.44) PDGFRBPDGFRAHRH3KCNH2ADRA1A
Hydrochloric Acid SCHEMBL28550768 0.86 CA12 (0.43) PDGFRBPDGFRAHRH3KCNH2ADRA1A
SCHEMBL18322902 0.85 PDGFRB (0.47) PDGFRBPDGFRAHRH3KCNH2ADRA1A
SCHEMBL18318241 0.83 PDGFRB (0.50) PDGFRBPDGFRAHRH3ALDH1A1F2
SCHEMBL18319021 0.82 PIK3CA (0.51) PDGFRBPDGFRA
SCHEMBL18322876 0.81 PDGFRB (0.57) PDGFRBPDGFRAHRH3KCNH2ALDH1A1
SCHEMBL18322887 0.81 HRH3 (0.43) PDGFRBPDGFRAHRH3KCNH2ADRA1A
SCHEMBL18322948 0.81 HRH3 (0.44) PDGFRBPDGFRAHRH3KCNH2ADRA1A
SCHEMBL18319002 0.80 CHEK2 (0.56) PDGFRBPDGFRAALDH1A1HPGDPDE3B

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