SCHEMBL7723161

SCHEMBL7723161

O=C(NC1CCN(CCc2ccc(F)cc2)C1)N1CC2CCC(C2)C1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.50
HTR2C P28335 3/20 0.50
HTR7 P34969 3/20 0.50
HTR6 P50406 2/20 0.50
CCR3 P51677 3/20 0.47
DRD2 P14416 1/20 0.45
DRD4 P21917 1/20 0.45
SIGMAR1 Q99720 3/20 0.44
CACNA1G O43497 1/20 0.43

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
SCHEMBL7723162 1.00 HTR2A (0.50) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7723164 1.00 HTR2A (0.50) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7719929 0.88 SIGMAR1 (0.58) HTR2ADRD2DRD4SIGMAR1
SCHEMBL7719939 0.88 SIGMAR1 (0.58) HTR2ADRD2DRD4SIGMAR1
SCHEMBL7719935 0.88 SIGMAR1 (0.58) HTR2ADRD2DRD4SIGMAR1
SCHEMBL7723201 0.85 HTR2A (0.49) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7723202 0.85 HTR2A (0.49) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7724298 0.83 HTR2A (0.47) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7724337 0.83 KMT2A (0.51) HTR2AHTR2CHTR7HTR6CCR3
SCHEMBL7719734 0.83 KMT2A (0.51) 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