SCHEMBL7344657

SCHEMBL7344657

COc1c(C(=O)c2ccccc2OCCCNC(=O)OC(C)(C)C)ccc(C(=O)N(C)c2ccc(OCc3ccccc3)cc2)c1N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 5/20 0.39
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA9 Q16790 5/20 0.39
KMT2A Q03164 4/20 0.38
MAPK1 P28482 2/20 0.38
NTSR1 P30989 1/20 0.38
HTT P42858 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
NOD2 Q9HC29 1/20 0.38
BCHE P06276 1/20 0.38
CNR2 P34972 1/20 0.38
HDAC1 Q13547 1/20 0.37
MAOB P27338 1/20 0.37
MEN1 O00255 3/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35

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
SCHEMBL7345667 0.91 DRD2 (0.37) CA12CA1CA2CA9KMT2A
SCHEMBL7339789 0.86 CA12 (0.39) CA12CA1CA2CA9KMT2A
SCHEMBL7339945 0.83 SIGMAR1 (0.40) CA12CA1CA2CA9KMT2A
SCHEMBL7337773 0.81 IDO1 (0.37) CA12CA1CA2CA9KMT2A
SCHEMBL7346426 0.81 MAPT (0.41) CA12CA1CA2CA9KMT2A
SCHEMBL7773843 0.81 TRPM8 (0.34) CA12CA1CA2CA9KMT2A
SCHEMBL7342126 0.79 TRPM8 (0.47) KMT2AMAPK1SMN1; SMN2MEN1L3MBTL1
SCHEMBL7336405 0.78 MAPT (0.37) CA12CA1CA2CA9KMT2A
SCHEMBL7344642 0.78 HDAC1 (0.43) KMT2AMAPK1NTSR1HTTSMN1; SMN2
SCHEMBL7348293 0.78 MAPT (0.37) 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 2 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
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed