SCHEMBL5492164

SCHEMBL5492164

CCOC(=O)N1CCC(=C(c2ccccc2)c2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.51
LMNA P02545 2/20 0.51
OPRD1 P41143 2/20 0.50
KDM4E B2RXH2 3/20 0.48
GAA P10253 2/20 0.48
OPRK1 P41145 1/20 0.48
MAPT P10636 3/20 0.48
SETD7 Q8WTS6 1/20 0.48
ALDH1A1 P00352 2/20 0.47
NPC1 O15118 1/20 0.47
HPGD P15428 1/20 0.47
ALOX15 P16050 1/20 0.47
MAPK1 P28482 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
HSD17B10 Q99714 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
P2RY12 Q9H244 1/20 0.47
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL4693977 0.93 TSHR (0.57) TSHRLMNAOPRD1KDM4EGAA
Carbamic Acid SCHEMBL4082824 0.89 TSHR (0.53) TSHRLMNAOPRD1KDM4EGAA
SCHEMBL5493044 0.89 OPRM1 (0.55) TSHRLMNAOPRD1KDM4EGAA
SCHEMBL5496259 0.83 OPRM1 (0.52) LMNAOPRD1KDM4EGAAOPRK1
SCHEMBL9047536 0.81 ALDH1A1 (0.58) LMNAOPRD1KDM4EGAAMAPT
SCHEMBL9632474 0.78 ALDH1A1 (0.49) TSHRLMNAKDM4EGAAMAPT
SCHEMBL10601711 0.77 OPRM1 (0.60) TSHRLMNAOPRD1GAAMAPT
SCHEMBL5494970 0.76 MGLL (0.60) KDM4EGAATDP1KMT2A
SCHEMBL14282904 0.76 OPRD1 (0.50) TSHROPRD1KDM4EOPRK1SETD7
SCHEMBL24621774 0.75 KDM4E (0.53) OPRD1KDM4ESETD7MAPK1FNTA

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-1066259-B1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA NV (BE) 2007-01-10 EP disclosed
US-6440440-B1 BACTERICIDES, FUNGICIDES, NEMATOCIDES, MITICIDES, INSECTICIDES, AND HERBICIDES JANSSEN PHARMACEUTICA N.V. (BE) 2002-08-27 US disclosed
EP-1066259-A1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 2001-01-10 EP disclosed
WO-1999051578-A1 BIOCIDAL BENZYLBIPHENYL DERIVATIVES JANSSEN PHARMACEUTICA N.V. (BE) 1999-10-14 WO disclosed