SCHEMBL7729570

SCHEMBL7729570

NC12CC3C[C@H](C1)CC(C(=O)NC1CCN(CCc4ccc(F)cc4)C1)(C3)C2

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 5/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43
HTR7 P34969 2/20 0.43
HTR6 P50406 2/20 0.43
KMT2A Q03164 2/20 0.41
XIAP P98170 1/20 0.41
BIRC2 Q13490 1/20 0.41
RAB9A P51151 1/20 0.41
CACNA1G O43497 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40

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
SCHEMBL7729606 0.91 HSD11B1 (0.49) KMT2ARAB9ADRD4
SCHEMBL7724337 0.89 KMT2A (0.51) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7719734 0.89 KMT2A (0.51) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7719729 0.89 KMT2A (0.51) CCR3HTR2AHTR2CHTR7HTR6
Hydrochloric Acid SCHEMBL7719913 0.87 KMT2A (0.49) CCR3HTR2AHTR2CHTR7HTR6
Hydrochloric Acid SCHEMBL7719915 0.87 KMT2A (0.49) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7724365 0.84 KMT2A (0.48) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7724369 0.84 KMT2A (0.48) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7719861 0.81 HTR2A (0.50) CCR3HTR2AHTR2CHTR7HTR6
SCHEMBL7719857 0.81 HTR2A (0.50) 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 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