SCHEMBL7375488

SCHEMBL7375488

COc1cc(N(C)C(=O)c2ccccc2)ccc1C(=O)N(C)c1ccccc1OCCCCCC(=O)O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 7/20 0.47
LMNA P02545 1/20 0.41
PPARD Q03181 3/20 0.41
RAB9A P51151 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PLAU P00749 1/20 0.39
OXTR P30559 1/20 0.39
LTB4R Q15722 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
CNR2 P34972 1/20 0.38
PPARA Q07869 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL7368631 0.90 MCHR1 (0.44) MCHR1PPARDRAB9AL3MBTL1HDAC1
SCHEMBL7371273 0.90 MCHR1 (0.46) MCHR1RAB9AL3MBTL1PLAUOXTR
SCHEMBL7373541 0.89 ALDH1A1 (0.41) MCHR1PPARDRAB9AL3MBTL1LTB4R
SCHEMBL7373068 0.86 MCHR1 (0.47) MCHR1RAB9AALDH1A1
SCHEMBL7373339 0.85 PPARD (0.39) MCHR1PPARDL3MBTL1LTB4RCNR2
SCHEMBL7514175 0.79 MCHR1 (0.38) MCHR1LMNARAB9AL3MBTL1ALDH1A1
SCHEMBL7377371 0.78 HPGD (0.47) MCHR1LMNARAB9AALDH1A1
SCHEMBL7370294 0.77 HPGD (0.49) MCHR1PPARDRAB9AL3MBTL1LTB4R
SCHEMBL7371612 0.76 L3MBTL1 (0.42) MCHR1LMNARAB9AL3MBTL1ALDH1A1
SCHEMBL7373891 0.76 AVPR2 (0.43) MCHR1LMNARAB9AALDH1A1

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-6211242-B1 CARDIOVASCULAR DISORDERS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-04-03 US disclosed
EP-0757670-B1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 1999-01-13 EP disclosed
EP-0757670-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-02-12 EP disclosed
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed