SCHEMBL7724014

SCHEMBL7724014

CC(C)(C)OC(=O)N[C@H]1CCN(CCc2ccc(F)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.49
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR7 P34969 2/20 0.49
HTR6 P50406 2/20 0.49
KDM4D Q6B0I6 2/20 0.48
NPY5R Q15761 3/20 0.47
CTSK P43235 2/20 0.47
CACNA1G O43497 1/20 0.47
HRH2 P25021 5/20 0.46
HRH1 P35367 5/20 0.46
DRD2 P14416 2/20 0.46
CACNA1F O60840 1/20 0.46
HTR1A P08908 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CNR1 P21554 1/20 0.46
DRD1 P21728 1/20 0.46
DRD4 P21917 1/20 0.46
DRD5 P21918 1/20 0.46
SLC6A2 P23975 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
SCHEMBL7724023 1.00 KCNA3 (0.49) KCNA3HTR2AHTR2CHTR7HTR6
SCHEMBL4231721 0.90 DRD2 (0.55) HTR2AKDM4DDRD2DRD4DRD3
SCHEMBL2030049 0.90 DRD2 (0.55) HTR2AKDM4DDRD2DRD4DRD3
SCHEMBL7724067 0.88 KCNA3 (0.59) KCNA3CTSKDRD2DRD4
SCHEMBL7724060 0.88 KCNA3 (0.59) KCNA3CTSKDRD2DRD4
SCHEMBL23579702 0.88 KCNA3 (0.53) KCNA3HTR2AHTR2CHTR7HTR6
SCHEMBL3351581 0.85 SIGMAR1 (0.60) KCNA3HTR2ADRD3CCR3
SCHEMBL8257331 0.84 KCNA3 (0.56) KCNA3HRH1DRD2DRD4DRD3
SCHEMBL30902315 0.83 UTS2R (0.48) KCNA3HTR7KDM4DNPY5RCTSK
SCHEMBL30401098 0.83 KCNA3 (0.55) KCNA3DRD2DRD4DRD3

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
US-6468998-B1 ANTAGONIZE SEROTONIN 2 RECEPTORS, SUPPRESS PLATELET AGGREGATION, IMPROVE PERIPHERAL CIRCULATION AND PROMOTE LACHRYMATION MITSUBISHI PHARMA CORPORATION (JP) 2002-10-22 US disclosed
EP-1125922-A1 PYRROLIDINE COMPOUNDS AND MEDICINAL UTILIZATION THEREOF Welfide Corporation (JP) 2001-08-22 EP disclosed