SCHEMBL7370807

SCHEMBL7370807

CCOC(=O)CCCCCOc1cc(C)ccc1N(C)C(=O)c1ccc(NC(=O)c2ccccc2O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.45
MEN1 O00255 5/20 0.45
SMN1; SMN2 Q16637 4/20 0.45
NPC1 O15118 3/20 0.45
RAB9A P51151 3/20 0.45
LMNA P02545 3/20 0.45
TP53 P04637 2/20 0.45
HTT P42858 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PNLIP P16233 1/20 0.42
POLB P06746 2/20 0.40
MLNR O43193 1/20 0.40
NR1I2 O75469 1/20 0.40
NR3C1 P04150 1/20 0.40
PGR P06401 1/20 0.40
ADRB2 P07550 1/20 0.40

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
SCHEMBL7336962 0.92 MAPT (0.50) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7335541 0.91 KMT2A (0.40) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7345310 0.90 KMT2A (0.44) KMT2AMEN1SMN1; SMN2RAB9ATP53
SCHEMBL7373910 0.90 AVPR2 (0.41) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7339794 0.88 GAA (0.47) KMT2AMEN1SMN1; SMN2RAB9AMLNR
SCHEMBL7341077 0.88 ALDH1A1 (0.54) KMT2AMEN1SMN1; SMN2RAB9ALMNA
SCHEMBL7378153 0.87 AVPR2 (0.40) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7334640 0.84 MAPT (0.43) KMT2AMEN1SMN1; SMN2RAB9ATP53
SCHEMBL7372866 0.84 MAPT (0.42) KMT2AMEN1SMN1; SMN2NPC1RAB9A
SCHEMBL7374905 0.83 AVPR2 (0.41) KMT2AMEN1SMN1; SMN2NPC1RAB9A

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
EP-0832061-B1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO (JP) 2001-09-05 EP disclosed
US-6054457-A Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-25 US disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed