SCHEMBL7367644

SCHEMBL7367644

COc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(C)cc3)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.64
POLB P06746 2/20 0.64
RAB9A P51151 5/20 0.54
NPC1 O15118 4/20 0.54
MAPT P10636 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
KDM4E B2RXH2 1/20 0.49
TP53 P04637 2/20 0.48
AURKA O14965 1/20 0.48
METAP2 P50579 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 2/20 0.47
HPGD P15428 1/20 0.47
MEN1 O00255 3/20 0.46
PNLIP P16233 2/20 0.46

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
SCHEMBL7378335 0.92 CHRNB2 (0.52) GAAPOLBRAB9ANPC1MAPT
SCHEMBL7371083 0.89 HTT (0.56) GAAPOLBRAB9ANPC1MAPT
SCHEMBL7369984 0.89 GAA (0.57) GAAPOLBRAB9ANPC1MAPT
SCHEMBL7517678 0.87 NPC1 (0.47) GAAPOLBRAB9ANPC1KMT2A
SCHEMBL7377757 0.83 MAPT (0.52) GAAPOLBRAB9ANPC1MAPT
SCHEMBL7368408 0.83 HSD17B1 (0.58) GAAPOLBRAB9ANPC1KMT2A
SCHEMBL7379111 0.82 POLB (0.52) GAAPOLBRAB9ANPC1MAPT
SCHEMBL7132902 0.81 GAA (0.87) GAAPOLBRAB9ANPC1MAPT
SCHEMBL7372735 0.81 CHRNB2 (0.49) GAAPOLBRAB9ANPC1MAPT
SCHEMBL7375535 0.81 L3MBTL1 (0.50) GAAPOLBRAB9ANPC1MAPT

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