SCHEMBL7345641

SCHEMBL7345641

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)NN2CCN(C)CC2)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WDR5 P61964 2/20 0.37
DRD2 P14416 5/20 0.37
BRPF1 P55201 2/20 0.36
MAP3K7 O43318 2/20 0.36
BRD4 O60885 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
HDAC3 O15379 2/20 0.34
HDAC1 Q13547 2/20 0.34
ABL1 P00519 1/20 0.34
SRC P12931 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
SCHEMBL7343339 0.92 AVPR2 (0.39) WDR5DRD2BRPF1MAP3K7
SCHEMBL7338074 0.92 DRD2 (0.46) DRD2MAP3K7ADRA1DADRA1AADRA1B
SCHEMBL7778595 0.90 AVPR2 (0.42) DRD2MAP3K7
SCHEMBL7342154 0.90 NAMPT (0.38) DRD2BRPF1MAP3K7BRD4ABL1
SCHEMBL7338566 0.90 HDAC3 (0.37) HDAC3HDAC1
SCHEMBL7337787 0.89 ALDH1A1 (0.41) ADRA1DADRA1AADRA1B
SCHEMBL7339388 0.89 AVPR2 (0.42) WDR5DRD2
SCHEMBL7338492 0.89 BRPF1 (0.39) BRPF1BRD4ADRA1DADRA1AADRA1B
SCHEMBL7347816 0.89 TP53 (0.38) HDAC3HDAC1
SCHEMBL7780810 0.89 TP53 (0.42) DRD2BRPF1BRD4

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