SCHEMBL7729407

SCHEMBL7729407

O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C(c1ccccc1F)c1ccccc1F

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
HTR2A P28223 2/20 0.46
HTR2C P28335 2/20 0.46
HTR7 P34969 2/20 0.46
HTR6 P50406 1/20 0.46
CCR3 P51677 1/20 0.45
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7729412 1.00 SIGMAR1 (0.48) SIGMAR1DRD2DRD4HTR2AHTR2C
SCHEMBL7724234 0.90 DRD2 (0.45) SIGMAR1DRD2DRD4HTR2AHTR2C
SCHEMBL7724237 0.90 DRD2 (0.45) SIGMAR1DRD2DRD4HTR2AHTR2C
SCHEMBL7729521 0.82 DRD2 (0.45) SIGMAR1DRD2DRD4HTR2AHTR2C
SCHEMBL7729514 0.82 DRD2 (0.45) SIGMAR1DRD2DRD4HTR2AHTR2C
SCHEMBL7723166 0.81 HTR2A (0.52) SIGMAR1DRD2DRD4HTR2AHTR2C
SCHEMBL7723172 0.81 HTR2A (0.52) SIGMAR1DRD2DRD4HTR2AHTR2C
SCHEMBL7724283 0.79 CCR3 (0.50) DRD2DRD4HTR2AHTR2CHTR7
SCHEMBL7724290 0.79 CCR3 (0.50) DRD2DRD4HTR2AHTR2CHTR7
SCHEMBL7729558 0.78 CCR1 (0.60) SIGMAR1DRD4HTR2AHTR2C

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