SCHEMBL7345686

SCHEMBL7345686

Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccccc3OCCCN)cc2)c(OCCCCCC(=O)O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
KMT2A Q03164 6/20 0.46
MEN1 O00255 5/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
MELK Q14680 1/20 0.44
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
MLNR O43193 1/20 0.42
NR1I2 O75469 1/20 0.42
NR3C1 P04150 1/20 0.42
PGR P06401 1/20 0.42
ADRB2 P07550 1/20 0.42
CHRM2 P08172 1/20 0.42
ADRB1 P08588 1/20 0.42

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
SCHEMBL7343470 0.92 MAPT (0.50) RECQLKMT2AMEN1MAPTNPSR1
SCHEMBL7345310 0.92 KMT2A (0.44) RECQLKMT2AMEN1MAPTNPSR1
SCHEMBL7348748 0.90 RECQL (0.41) RECQLKMT2AMEN1MAPTNPSR1
SCHEMBL7338049 0.88 RECQL (0.41) RECQLKMT2AMEN1MAPTNPSR1
Hydrochloric Acid SCHEMBL7773841 0.87 RECQL (0.40) RECQLKMT2AMEN1MAPTNPSR1
SCHEMBL7378099 0.86 L3MBTL1 (0.43) RECQLKMT2AMEN1MAPTNPSR1
SCHEMBL7342995 0.86 ALDH1A1 (0.45) RECQLKMT2AMEN1MAPTNPSR1
SCHEMBL7374776 0.85 L3MBTL1 (0.41) RECQLKMT2AMEN1MAPTNPSR1
SCHEMBL7336962 0.84 MAPT (0.50) RECQLKMT2AMEN1MAPTNPSR1
SCHEMBL7778655 0.84 TP53 (0.42) KMT2AMEN1MAPTNPSR1SMN1; SMN2

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