SCHEMBL7345667

SCHEMBL7345667

COc1c(C(=O)c2ccccc2OCCCNC(=O)OC(C)(C)C)ccc(C(=O)N(C)c2ccc(O)cc2)c1N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.37
HPGD P15428 1/20 0.37
CA12 O43570 5/20 0.36
CA1 P00915 5/20 0.36
CA2 P00918 5/20 0.36
CA9 Q16790 5/20 0.36
KMT2A Q03164 4/20 0.36
MAPK1 P28482 1/20 0.36
NTSR1 P30989 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NOD2 Q9HC29 1/20 0.36
MEN1 O00255 3/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ATM Q13315 1/20 0.35
SCN9A Q15858 1/20 0.34
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34

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
SCHEMBL7344657 0.91 CA12 (0.39) CA12CA1CA2CA9KMT2A
SCHEMBL7337773 0.86 IDO1 (0.37) DRD2HPGDCA12CA1CA2
SCHEMBL7339789 0.86 CA12 (0.39) CA12CA1CA2CA9KMT2A
SCHEMBL7346426 0.84 MAPT (0.41) DRD2HPGDCA12CA1CA2
SCHEMBL7339945 0.83 SIGMAR1 (0.40) DRD2CA12CA1CA2CA9
SCHEMBL7336405 0.82 MAPT (0.37) DRD2HPGDCA12CA1CA2
SCHEMBL7348293 0.81 MAPT (0.37) DRD2HPGDCA12CA1CA2
SCHEMBL7347827 0.81 MAPT (0.36) DRD2CA12CA1CA2CA9
SCHEMBL7338581 0.79 HDAC3 (0.36) DRD2KMT2AHTTSMN1; SMN2NPSR1
SCHEMBL7773843 0.79 TRPM8 (0.34) CA12CA1CA2CA9KMT2A

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