SCHEMBL7960876

SCHEMBL7960876

CCOC(=O)c1cc2c(C)cccc2n1CCNC(=O)OC(C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.50
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
KDM4E B2RXH2 5/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
GAA P10253 2/20 0.42
CNR2 P34972 1/20 0.42
MAPT P10636 2/20 0.41
TSHR P16473 2/20 0.41
RECQL P46063 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NOD2 Q9HC29 1/20 0.40
NOD1 Q9Y239 1/20 0.40
DRD2 P14416 1/20 0.40
LMNA P02545 1/20 0.39

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
SCHEMBL20141699 0.87 MTNR1A (0.59) F10MTNR1AMTNR1BKDM4ECRHBP
SCHEMBL7957934 0.84 F10 (0.53) F10KDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL16151412 0.84 GAA (0.43) MTNR1AMTNR1BKDM4ECRHBPCRHR2
SCHEMBL7881461 0.82 CNR2 (0.46) F10KDM4ECRHBPCRHR2SMN1; SMN2
SCHEMBL16150685 0.82 MAPT (0.47) MTNR1AMTNR1BKDM4ECRHBPCRHR2
SCHEMBL24187458 0.80 MTNR1A (0.46) MTNR1AMTNR1BKDM4ECRHBPCRHR2
SCHEMBL15563812 0.80 DRD2 (0.44) MTNR1AMTNR1BKDM4ECRHBPCRHR2
SCHEMBL24187366 0.79 KDM4E (0.60) KDM4ESMN1; SMN2MAPTTSHRHSD17B10
SCHEMBL29153650 0.79 MTNR1A (0.42) MTNR1AMTNR1BKDM4ECRHBPCRHR2
SCHEMBL7955701 0.78 F10 (0.57) F10KDM4ECRHBPCRHR2SMN1; SMN2

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