SCHEMBL7363679

SCHEMBL7363679

CN1CCN(C(=O)CCCOc2ccccc2N(C)C(=O)c2ccc(NC(=O)c3ccccc3OCc3ccccc3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.48
SGMS2 Q8NHU3 1/20 0.48
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MET P08581 2/20 0.44
HCN1 O60741 1/20 0.44
HCN4 Q9Y3Q4 1/20 0.44
USP2 O75604 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
ESR2 Q92731 1/20 0.44
TAAR1 Q96RJ0 1/20 0.44
POLB P06746 1/20 0.43
LRRK2 Q5S007 2/20 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
SCHEMBL7336031 0.97 GAA (0.47) GAASGMS2KMT2AMEN1MET
SCHEMBL7347838 0.90 POLB (0.44) KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL7346264 0.90 POLB (0.43) KMT2AMEN1POLB
SCHEMBL7346648 0.89 GAA (0.47) GAASGMS2KMT2AMEN1MET
SCHEMBL7345845 0.89 RAB9A (0.42) KMT2AMEN1MAPTTAAR1POLB
SCHEMBL7336465 0.88 POLB (0.42) KMT2AMEN1MAPTPOLB
SCHEMBL7341462 0.88 POLB (0.43) GAAKMT2AMEN1POLB
SCHEMBL7338749 0.88 POLB (0.43) KMT2AMEN1MAPTPOLB
SCHEMBL7336183 0.87 POLB (0.43) KMT2AMEN1POLB
Hydrochloric Acid SCHEMBL7337084 0.87 POLB (0.43) GAAKMT2AMEN1POLB

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