SCHEMBL7342126

SCHEMBL7342126

CN(C(=O)c1ccc(C(=O)c2ccccc2OCCCNC(=O)OC(C)(C)C)c(OCc2ccccc2)c1N)C1CCCCC1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 8/20 0.47
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
GAA P10253 1/20 0.42
SGMS2 Q8NHU3 1/20 0.40
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 1/20 0.35
KLK7 P49862 1/20 0.34
KLK5 Q9Y337 1/20 0.34
RECQL P46063 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
SCHEMBL7345858 0.92 KMT2A (0.41) TRPM8MEN1KMT2ASMN1; SMN2GAA
SCHEMBL7337605 0.89 MAPT (0.41) TRPM8MEN1KMT2ASMN1; SMN2GAA
SCHEMBL7345623 0.88 MAPT (0.41) TRPM8MEN1KMT2ASMN1; SMN2GAA
SCHEMBL7344657 0.79 CA12 (0.39) MEN1KMT2ASMN1; SMN2GAAMAPT
SCHEMBL7342119 0.78 SGMS2 (0.46) TRPM8MEN1KMT2ASMN1; SMN2GAA
SCHEMBL7345667 0.76 DRD2 (0.37) MEN1KMT2ASMN1; SMN2HPGDMAPK1
SCHEMBL3454806 0.73 TRPM8 (0.77) TRPM8MEN1KMT2ASMN1; SMN2GAA
SCHEMBL7337600 0.72 RXFP1 (0.38) MEN1KMT2ASMN1; SMN2GAAMAPT
SCHEMBL7778567 0.72 KDM4E (0.55) MAPTL3MBTL1POLBMAPK1
SCHEMBL7337773 0.72 IDO1 (0.37) MEN1KMT2ASMN1; SMN2ALDH1A1MAPT

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