SCHEMBL2597773

SCHEMBL2597773

O=CCc1ccc(N2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.72

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 4/20 0.72
SIGMAR1 Q99720 2/20 0.58
HTR2A P28223 1/20 0.58
HTR2C P28335 1/20 0.58
HTR2B P41595 1/20 0.58
L3MBTL1 Q9Y468 2/20 0.57
DRD2 P14416 2/20 0.56
DRD3 P35462 2/20 0.56
GAA P10253 1/20 0.56
HTR7 P34969 2/20 0.55
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
MAPT P10636 1/20 0.53

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
SCHEMBL4392263 0.86 DRD4 (0.70) DRD4SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL6031812 0.84 DRD4 (1.00) DRD4SIGMAR1DRD2DRD3HTR7
SCHEMBL5542706 0.83 DRD4 (0.77) DRD4SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL3320211 0.82 DRD4 (0.74) DRD4SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL588149 0.81 DRD4 (1.00) DRD4SIGMAR1HTR2CL3MBTL1DRD2
SCHEMBL6794331 0.81 DRD4 (0.79) DRD4SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL4539667 0.81 ITGB3 (0.71) DRD4SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL654308 0.80 DRD4 (0.77) DRD4SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL5548733 0.80 DRD4 (0.77) DRD4SIGMAR1HTR2AHTR2CHTR2B
SCHEMBL3242187 0.80 DRD4 (0.77) DRD4SIGMAR1HTR2AHTR2CHTR2B

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
WO-2012162461-A1 PHENYL-THIAZOLYL INHIBITORS OF PRO-MATRIX METALLOPROTEINASE ACTIVATION JANSSEN PHARMACEUTICA NV (BE) 2012-11-29 WO disclosed
WO-2011146401-A1 NOVEL INHIBITORS OF HEPATITIS C VIRUS REPLICATION INTERMUNE, INC. (US) 2011-11-24 WO disclosed