SCHEMBL7375499

SCHEMBL7375499

COc1cc(C(=O)N(C)c2ccc(Cl)cc2OCc2ccccc2)ccc1NC(=O)c1ccccc1-c1ccc(C)cc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTTP P55157 4/20 0.47
PTGER1 P34995 2/20 0.45
BRD4 O60885 1/20 0.45
HPGD P15428 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
ESR1 P03372 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
F10 P00742 3/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
HSD17B10 Q99714 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP19A1 P11511 1/20 0.41
AVPR2 P30518 1/20 0.41

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
SCHEMBL8816300 0.92 BRD4 (0.45) PTGER1BRD4HPGDKDM4EMEN1
SCHEMBL7376652 0.92 PTGER1 (0.46) MTTPPTGER1BRD4HPGDMAPT
SCHEMBL7371809 0.92 PTGER1 (0.46) PTGER1BRD4HPGDKDM4EMAPT
SCHEMBL7749370 0.89 CYP19A1 (0.49) PTGER1CYP19A1AVPR2
SCHEMBL7519200 0.88 MTTP (0.42) MTTPHPGDKDM4EF10ALDH1A1
SCHEMBL7371628 0.87 KCNMA1 (0.48) MTTPHPGDKDM4EMEN1ESR1
SCHEMBL7370837 0.87 MTTP (0.48) MTTPPTGER1POLBMAPTCYP19A1
SCHEMBL7369948 0.85 MTTP (0.39) MTTPHPGDKDM4EF10ALDH1A1
SCHEMBL8814366 0.85 CYP19A1 (0.44) PTGER1BRD4HPGDKDM4EMAPT
SCHEMBL7512593 0.84 CYP19A1 (0.45) MTTPPTGER1HPGDMEN1MAPT

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