SCHEMBL7724321

SCHEMBL7724321

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

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 3/20 0.49
HTR2A P28223 4/20 0.48
HTR2C P28335 2/20 0.48
HTR7 P34969 2/20 0.48
HTR6 P50406 2/20 0.48
OPRM1 P35372 2/20 0.44
TMEM97 Q5BJF2 2/20 0.44
DRD2 P14416 1/20 0.43
DRD4 P21917 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
SCHEMBL7724313 1.00 CCR3 (0.49) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7723128 0.89 SIGMAR1 (0.56) OPRM1DRD4
SCHEMBL7723126 0.89 SIGMAR1 (0.56) OPRM1DRD4
SCHEMBL7724290 0.81 CCR3 (0.50) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7724283 0.81 CCR3 (0.50) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7723996 0.80 HTR2A (0.50) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7723995 0.80 HTR2A (0.50) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7719835 0.78 CCR3 (0.50) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7719830 0.78 CCR3 (0.50) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7729559 0.77 HTR2A (0.52) 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