SCHEMBL7947040

SCHEMBL7947040

CCOC(=O)CCCCn1cc(C(=O)OCC)c2c(Cl)cc(OCc3ccccc3)cc21

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 3/20 0.46
PLA2G2A P14555 2/20 0.43
MEN1 O00255 1/20 0.42
HSP90AA1 P07900 1/20 0.42
KMT2A Q03164 1/20 0.42
CREBBP Q92793 1/20 0.41
MAOB P27338 1/20 0.41
TSHR P16473 1/20 0.41
NMT1 P30419 2/20 0.40
NR1H4 Q96RI1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NMT2 O60551 1/20 0.39
JAK2 O60674 1/20 0.39
JAK3 P52333 1/20 0.39
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38

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
SCHEMBL27474224 0.97 CNR1 (0.45) CNR1PLA2G2AMEN1HSP90AA1KMT2A
SCHEMBL7954482 0.86 CNR1 (0.46) CNR1CREBBP
SCHEMBL7954142 0.83 CNR1 (0.48) CNR1CREBBPTDP1L3MBTL1
SCHEMBL27474223 0.80 CNR1 (0.47) CNR1CREBBP
SCHEMBL7947037 0.80 PLA2G2A (0.49) PLA2G2ATSHRKDM4EALDH1A1TDP1
SCHEMBL7955770 0.80 CNR1 (0.41) CNR1MEN1KMT2ATSHR
SCHEMBL8960027 0.74 CNR1 (0.66) CNR1CREBBPTSHRALDH1A1L3MBTL1
SCHEMBL27473003 0.73 PLA2G2A (0.43) PLA2G2ANR1H4ALDH1A1L3MBTL1
SCHEMBL860936 0.72 MCL1 (0.54) MEN1KMT2A
SCHEMBL9336481 0.72 CNR1 (0.62) CNR1CREBBPTSHRALDH1A1L3MBTL1

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