SCHEMBL7724303

SCHEMBL7724303

O=C(NC1CCN(CCc2ccc(F)cc2)C1)N1CC2CC3CC1CN(C3)C2

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.44
HTR2C P28335 3/20 0.44
HTR7 P34969 3/20 0.44
HTR6 P50406 2/20 0.44
CCR3 P51677 2/20 0.44
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
XIAP P98170 1/20 0.42
BIRC2 Q13490 1/20 0.42
UTS2R Q9UKP6 1/20 0.40
SIGMAR1 Q99720 4/20 0.39
SLC6A12 P48065 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
MCHR1 Q99705 1/20 0.39

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
SCHEMBL7724309 1.00 HTR2A (0.44) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7724298 0.92 HTR2A (0.47) HTR2AHTR2CHTR7HTR6CCR3
Hydrochloric Acid SCHEMBL7719859 0.91 HTR2A (0.46) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7724047 0.90 SIGMAR1 (0.51) HTR2ADRD2DRD4SIGMAR1MCHR1
SCHEMBL7724042 0.90 SIGMAR1 (0.51) HTR2ADRD2DRD4SIGMAR1MCHR1
SCHEMBL7723201 0.83 HTR2A (0.49) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7723202 0.83 HTR2A (0.49) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7719774 0.83 CCR3 (0.41) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7725083 0.82 HTR2A (0.46) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7725075 0.82 HTR2A (0.46) HTR2AHTR2CHTR7HTR6CCR3

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