SCHEMBL7336478

SCHEMBL7336478

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCN2C(=O)c3ccccc3C2=O)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
POLB P06746 2/20 0.42
BRPF1 P55201 2/20 0.39
BRD4 O60885 1/20 0.38
HTT P42858 2/20 0.36
MAPT P10636 2/20 0.36
HSP90AA1 P07900 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DRD2 P14416 3/20 0.36
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
STING1 Q86WV6 1/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 1/20 0.35
USP2 O75604 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 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
SCHEMBL7780810 0.91 TP53 (0.42) BRPF1BRD4HTTMAPTHSP90AA1
SCHEMBL7346417 0.90 TP53 (0.42) BRPF1BRD4HTTMAPTHSP90AA1
SCHEMBL7336388 0.89 TP53 (0.39) BRPF1BRD4HTTMAPTHSP90AA1
SCHEMBL7345297 0.89 MAPT (0.40) BRPF1BRD4HTTMAPTHSP90AA1
SCHEMBL7348212 0.89 IRAK4 (0.39) BRPF1BRD4HTTMAPTHSP90AA1
SCHEMBL7780836 0.88 TP53 (0.38) BRPF1BRD4HTTMAPTHSP90AA1
SCHEMBL7337787 0.88 ALDH1A1 (0.41) ALDH1A1POLBHTTMAPTHSP90AA1
SCHEMBL7348285 0.88 TP53 (0.38) ALDH1A1BRPF1BRD4HTTMAPT
SCHEMBL7338074 0.88 DRD2 (0.46) DRD2
SCHEMBL7343201 0.88 KMT2A (0.40) ALDH1A1POLBHTTMAPTHSP90AA1

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