SCHEMBL7724290

SCHEMBL7724290

O=C(NC1CCN(CCc2ccc(F)cc2)C1)C(C1CCCCC1)C1CCCCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.50
HTR2A P28223 5/20 0.49
HTR2C P28335 4/20 0.49
HTR7 P34969 4/20 0.49
HTR6 P50406 3/20 0.49
C3AR1 Q16581 1/20 0.45
XIAP P98170 1/20 0.45
BIRC2 Q13490 1/20 0.45
DRD2 P14416 2/20 0.44
DRD4 P21917 2/20 0.44
CACNA1F O60840 1/20 0.44
HTR1A P08908 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
CNR1 P21554 1/20 0.44
DRD1 P21728 1/20 0.44
DRD5 P21918 1/20 0.44
SLC6A2 P23975 1/20 0.44
HRH2 P25021 1/20 0.44
ADRA1D P25100 1/20 0.44
HTR1B P28222 1/20 0.44

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
SCHEMBL7724283 1.00 CCR3 (0.50) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7719838 0.88 SIGMAR1 (0.57) HTR2AHTR2CC3AR1DRD2DRD4
SCHEMBL7719831 0.88 SIGMAR1 (0.57) HTR2AHTR2CC3AR1DRD2DRD4
SCHEMBL7724313 0.81 CCR3 (0.49) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7724321 0.81 CCR3 (0.49) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7719830 0.79 CCR3 (0.50) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7729412 0.79 SIGMAR1 (0.48) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7729407 0.79 SIGMAR1 (0.48) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7719835 0.79 CCR3 (0.50) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7723996 0.78 HTR2A (0.50) CCR3HTR2AHTR2CHTR7HTR6

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