SCHEMBL7514980

SCHEMBL7514980

COc1cc(NC(=O)c2ccccc2-c2ccc(C)cc2)ccc1C(=O)N(C)c1ccccc1OCCCNC(=O)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.43
GAA P10253 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MTTP P55157 6/20 0.42
HTT P42858 1/20 0.41
POLB P06746 2/20 0.39
MEN1 O00255 1/20 0.39
AHR P35869 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL7374117 0.90 MEN1 (0.42) GAAKDM4EPOLBMEN1KMT2A
SCHEMBL7377885 0.88 MTTP (0.43) GAAKDM4EMTTPMEN1KMT2A
SCHEMBL7375680 0.87 MEN1 (0.41) GAAKDM4EPOLBMEN1KMT2A
SCHEMBL7373144 0.87 MEN1 (0.41) GAAKDM4EPOLBMEN1KMT2A
SCHEMBL7373278 0.86 MELK (0.45) MCHR1GAAKDM4EMTTPHTT
SCHEMBL7375925 0.85 MTTP (0.40) MCHR1GAAMTTPALDH1A1
SCHEMBL7376078 0.84 AVPR2 (0.42) MCHR1KDM4EMTTPALDH1A1HPGD
SCHEMBL7375888 0.84 POLB (0.44) MCHR1GAAKDM4EMTTPHTT
SCHEMBL7375063 0.83 ALDH1A1 (0.36) KDM4EMTTPMEN1KMT2AALDH1A1
SCHEMBL7373196 0.83 MTTP (0.40) KDM4EMTTPMEN1KMT2AALDH1A1

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 3 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
WO-1995029152-A1 BENZAMIDE DERIVATIVES AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1995-11-02 WO disclosed