SCHEMBL5735669

SCHEMBL5735669

COc1ccc([C@H]2CCCC[C@H]2NC(=O)c2ccc(C(=O)c3cccc(Cl)c3)cc2)cc1OC

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.48
TAS1R3 Q7RTX0 3/20 0.48
TAS1R1 Q7RTX1 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
TACR1 P25103 1/20 0.44
F10 P00742 2/20 0.44
SPTLC2 O15270 5/20 0.44
MCHR1 Q99705 2/20 0.44
KCNH2 Q12809 1/20 0.44
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL5735667 1.00 GRM5 (0.48) GRM5TAS1R3TAS1R1L3MBTL1NPC1
SCHEMBL5734102 0.91 TAS1R3 (0.53) TAS1R3TAS1R1TACR1F10SPTLC2
SCHEMBL5734110 0.91 TAS1R3 (0.53) TAS1R3TAS1R1TACR1F10SPTLC2
SCHEMBL5733895 0.90 TACR1 (0.51) TAS1R3TAS1R1TACR1SPTLC2
SCHEMBL5733889 0.90 TACR1 (0.51) TAS1R3TAS1R1TACR1SPTLC2
SCHEMBL5733689 0.89 TACR1 (0.45) GRM5TAS1R3TAS1R1NPC1RAB9A
SCHEMBL5733686 0.89 TACR1 (0.45) GRM5TAS1R3TAS1R1NPC1RAB9A
SCHEMBL5734789 0.88 TACR1 (0.49) TAS1R3TAS1R1TACR1SPTLC2
SCHEMBL5734799 0.88 TACR1 (0.49) TAS1R3TAS1R1TACR1SPTLC2
SCHEMBL5733789 0.86 ALDH1A1 (0.52) TAS1R3TAS1R1NPC1RAB9ATACR1

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