SCHEMBL7370102

SCHEMBL7370102

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.45
MAPK1 P28482 1/20 0.45
KMT2A Q03164 1/20 0.45
HSD17B10 Q99714 1/20 0.45
ADRA1D P25100 6/20 0.43
ADRA1A P35348 6/20 0.43
ADRA1B P35368 6/20 0.43
CCR8 P51685 1/20 0.42
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NAMPT P43490 1/20 0.40
PLK1 P53350 2/20 0.40
KDM4E B2RXH2 1/20 0.39

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
SCHEMBL7338105 0.93 AVPR2 (0.42) MEN1MAPK1KMT2AHSD17B10ADRA1D
SCHEMBL7345660 0.92 MET (0.43) MAPTSMN1; SMN2NAMPT
SCHEMBL7366871 0.92 CCR8 (0.44) MEN1KMT2AADRA1DADRA1AADRA1B
SCHEMBL7342320 0.92 AVPR2 (0.41) MEN1KMT2AKDM4E
SCHEMBL7342173 0.92 AVPR2 (0.43) ADRA1DADRA1AADRA1BGAATP53
SCHEMBL7339871 0.90 ALDH1A1 (0.39) MEN1KMT2AADRA1DADRA1AADRA1B
SCHEMBL7345955 0.90 MEN1 (0.40) MEN1MAPK1KMT2AMAPTALDH1A1
SCHEMBL7342434 0.87 AVPR2 (0.42) MAPK1KMT2ACCR8GAAMAPT
Hydrochloric Acid SCHEMBL7342854 0.87 NPC1 (0.43) MEN1KMT2AALDH1A1SMN1; SMN2KDM4E
SCHEMBL7345366 0.87 AVPR2 (0.46) ADRA1DADRA1AADRA1BGAATP53

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