SCHEMBL7719729

SCHEMBL7719729

O=C(N[C@H]1CCN(CCc2ccc(F)cc2)C1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.51
RAB9A P51151 2/20 0.51
HTR2A P28223 2/20 0.49
HTR2C P28335 2/20 0.49
HTR7 P34969 2/20 0.49
HTR6 P50406 2/20 0.49
CCR3 P51677 4/20 0.48
HSD11B1 P28845 1/20 0.46
EPHX1 P07099 2/20 0.46
P2RX7 Q99572 1/20 0.46
NPC1 O15118 1/20 0.45
DRD2 P14416 1/20 0.44
DRD4 P21917 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
SCHEMBL7724337 1.00 KMT2A (0.51) KMT2ARAB9AHTR2AHTR2CHTR7
SCHEMBL7719734 1.00 KMT2A (0.51) KMT2ARAB9AHTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL7719915 0.98 KMT2A (0.49) KMT2ARAB9AHTR2AHTR2CHTR7
Hydrochloric Acid SCHEMBL7719913 0.98 KMT2A (0.49) KMT2ARAB9AHTR2AHTR2CHTR7
SCHEMBL7724365 0.95 KMT2A (0.48) KMT2ARAB9AHTR2AHTR2CHTR7
SCHEMBL7724369 0.95 KMT2A (0.48) KMT2ARAB9AHTR2AHTR2CHTR7
SCHEMBL7719871 0.90 HSD11B1 (0.59) KMT2ARAB9AHTR2AHSD11B1EPHX1
SCHEMBL7729574 0.90 HSD11B1 (0.59) KMT2ARAB9AHTR2AHSD11B1EPHX1
SCHEMBL7719868 0.90 HSD11B1 (0.59) KMT2ARAB9AHTR2AHSD11B1EPHX1
SCHEMBL7729570 0.89 CCR3 (0.43) KMT2ARAB9AHTR2AHTR2CHTR7

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