SCHEMBL5734110

SCHEMBL5734110

COc1ccc([C@H]2CCCC[C@H]2NC(=O)c2ccc(C(=O)c3ccc(Cl)cc3)cc2)cc1OC

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 4/20 0.53
TAS1R1 Q7RTX1 4/20 0.53
SMN1; SMN2 Q16637 1/20 0.45
SPTLC2 O15270 5/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
F10 P00742 3/20 0.44
GAA P10253 1/20 0.44
SSTR3 P32745 1/20 0.43
MEN1 O00255 1/20 0.43
ALPL P05186 1/20 0.43
KMT2A Q03164 1/20 0.43
KDM1A O60341 1/20 0.42
TAS1R2 Q8TE23 1/20 0.42
TACR2 P21452 1/20 0.41
TACR1 P25103 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
SCHEMBL5734102 1.00 TAS1R3 (0.53) TAS1R3TAS1R1SMN1; SMN2SPTLC2KDM4E
SCHEMBL5735669 0.91 GRM5 (0.48) TAS1R3TAS1R1SPTLC2F10TACR1
SCHEMBL5735667 0.91 GRM5 (0.48) TAS1R3TAS1R1SPTLC2F10TACR1
SCHEMBL5733889 0.90 TACR1 (0.51) TAS1R3TAS1R1SPTLC2GAAMEN1
SCHEMBL5733789 0.90 ALDH1A1 (0.52) TAS1R3TAS1R1SMN1; SMN2F10GAA
SCHEMBL5733787 0.90 ALDH1A1 (0.52) TAS1R3TAS1R1SMN1; SMN2F10GAA
SCHEMBL5733895 0.90 TACR1 (0.51) TAS1R3TAS1R1SPTLC2GAAMEN1
SCHEMBL5737318 0.87 TAS1R3 (0.51) TAS1R3TAS1R1SPTLC2MEN1ALPL
SCHEMBL7204083 0.87 TAS1R3 (0.51) TAS1R3TAS1R1SPTLC2MEN1ALPL
SCHEMBL5053376 0.87 TAS1R3 (0.51) TAS1R3TAS1R1SPTLC2MEN1ALPL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1650193-A2 6-Phenylphenanthridines with PDE-IV inhibiting activity ALTANA Pharma AG (DE) 2006-04-26 EP disclosed
EP-1147089-B1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY ALTANA PHARMA AG (DE) 2005-12-07 EP disclosed
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 US disclosed
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 EP disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 WO disclosed