SCHEMBL7957916

SCHEMBL7957916

CCOC(=O)c1cc2c(C)ccc3c2n1CCC3O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 0.40
KMT2A Q03164 1/20 0.37
HTT P42858 1/20 0.37
F10 P00742 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 3/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.35
ESR1 P03372 1/20 0.35
ATM Q13315 1/20 0.35
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
PKM P14618 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL7956235 0.87 KMT2A (0.40) DRD3KMT2AF10RAB9ALMNA
SCHEMBL7955863 0.83 ALDH1A1 (0.41) KMT2ARAB9ALMNAKDM4EALDH1A1
SCHEMBL7954146 0.77 KDM4E (0.41) DRD3KMT2ARAB9ALMNAKDM4E
SCHEMBL7960928 0.76 F10 (0.33) F10
SCHEMBL7954102 0.76 MAPK1 (0.54) KMT2ARAB9ALMNAKDM4EALDH1A1
SCHEMBL7955774 0.75 MAPK1 (0.43) KMT2ALMNAKDM4EALDH1A1SMN1; SMN2
SCHEMBL7957927 0.75 MCL1 (0.43) KMT2AHTTRAB9ALMNAKDM4E
SCHEMBL7954130 0.74 ALDH1A1 (0.45) KMT2ARAB9ALMNAKDM4EALDH1A1
SCHEMBL7960930 0.74 SLC9A1 (0.30)
SCHEMBL7954495 0.73 ALDH1A1 (0.40) KMT2ARAB9ALMNAKDM4EALDH1A1

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-6271251-B1 CARDIOVASCULAR DISORDERS SUMITOMO PHARMACEUTICALS COMPANY LIMITED (JP) 2001-08-07 US disclosed
US-5977100-A Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1999-11-02 US disclosed
US-5834454-A TREATMENT OF ANGINA, ISCHEMIA, ARRHYTHMIA SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1998-11-10 US disclosed
EP-0787728-A1 Substituted guanidine derivatives, process for production thereof, and pharmaceutical uses thereof SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1997-08-06 EP disclosed