SCHEMBL7724223

SCHEMBL7724223

O=C(NC1CCN(CCc2ccc(F)cc2)C1)C1c2ccccc2Oc2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 5/20 0.58
CHRM2 P08172 1/20 0.49
CHRM1 P11229 1/20 0.49
CHRM3 P20309 1/20 0.49
DRD2 P14416 1/20 0.48
DRD4 P21917 1/20 0.48
SIGMAR1 Q99720 5/20 0.47
MEN1 O00255 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
CCR3 P51677 3/20 0.46
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR7 P34969 1/20 0.45
HTR6 P50406 1/20 0.45
SLC6A12 P48065 1/20 0.44
TMEM97 Q5BJF2 1/20 0.44
MCHR1 Q99705 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
SCHEMBL7724221 1.00 CCR1 (0.58) CCR1CHRM2CHRM1CHRM3DRD2
SCHEMBL7719823 0.92 CCR1 (0.62) CCR1CHRM2CHRM1CHRM3DRD2
SCHEMBL7719821 0.92 CCR1 (0.62) CCR1CHRM2CHRM1CHRM3DRD2
SCHEMBL7723289 0.87 C3AR1 (0.50) DRD2DRD4SIGMAR1CCR3HTR2A
SCHEMBL7723287 0.87 C3AR1 (0.50) DRD2DRD4SIGMAR1CCR3HTR2A
SCHEMBL7729771 0.86 DRD2 (0.48) DRD2DRD4SIGMAR1CCR3HTR2A
SCHEMBL7719803 0.80 CCR3 (0.51) DRD2DRD4SIGMAR1CCR3HTR2A
SCHEMBL7729553 0.78 HTR2A (0.52) DRD2DRD4SIGMAR1CCR3HTR2A
SCHEMBL7729559 0.78 HTR2A (0.52) DRD2DRD4SIGMAR1CCR3HTR2A
SCHEMBL9107792 0.78 CCR1 (0.70) CCR1DRD2DRD4SIGMAR1MAPT

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