SCHEMBL7724369

SCHEMBL7724369

O=C(NC1CCN(CCCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
RAB9A P51151 2/20 0.48
CCR3 P51677 5/20 0.47
FKBP1A P62942 1/20 0.45
EPHX1 P07099 2/20 0.44
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR7 P34969 2/20 0.44
HTR6 P50406 2/20 0.44
P2RX7 Q99572 1/20 0.44
DRD2 P14416 2/20 0.42
DRD4 P21917 2/20 0.42
CACNA1F O60840 1/20 0.42
HTR1A P08908 1/20 0.42
ADORA3 P0DMS8 1/20 0.42
CNR1 P21554 1/20 0.42
DRD1 P21728 1/20 0.42
DRD5 P21918 1/20 0.42
SLC6A2 P23975 1/20 0.42
HRH2 P25021 1/20 0.42

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
SCHEMBL7724365 1.00 KMT2A (0.48) KMT2ARAB9ACCR3FKBP1AEPHX1
SCHEMBL7724337 0.95 KMT2A (0.51) KMT2ARAB9ACCR3EPHX1HTR2A
SCHEMBL7719734 0.95 KMT2A (0.51) KMT2ARAB9ACCR3EPHX1HTR2A
SCHEMBL7719729 0.95 KMT2A (0.51) KMT2ARAB9ACCR3EPHX1HTR2A
Hydrochloric Acid SCHEMBL7719913 0.93 KMT2A (0.49) KMT2ARAB9ACCR3EPHX1HTR2A
Hydrochloric Acid SCHEMBL7719915 0.93 KMT2A (0.49) KMT2ARAB9ACCR3EPHX1HTR2A
SCHEMBL7729613 0.90 HSD11B1 (0.53) KMT2ARAB9AEPHX1DRD4KDM1A
SCHEMBL7729620 0.90 HSD11B1 (0.53) KMT2ARAB9AEPHX1DRD4KDM1A
SCHEMBL7724063 0.89 DRD2 (0.50) KMT2ARAB9AFKBP1AEPHX1DRD2
SCHEMBL7724059 0.89 DRD2 (0.50) KMT2ARAB9AFKBP1AEPHX1DRD2

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