SCHEMBL7342154

SCHEMBL7342154

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCNC(=O)N2CCN(C)CC2)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.38
DRD2 P14416 5/20 0.38
MAP3K7 O43318 3/20 0.36
BRPF1 P55201 2/20 0.36
RXFP1 Q9HBX9 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
JAK2 O60674 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ABL1 P00519 1/20 0.35
SRC P12931 1/20 0.35
BRD4 O60885 1/20 0.35
STING1 Q86WV6 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
SCHEMBL7343339 0.93 AVPR2 (0.39) DRD2MAP3K7BRPF1
SCHEMBL7340438 0.93 ABL1 (0.38) NAMPTDRD2ABL1SRC
SCHEMBL7338074 0.92 DRD2 (0.46) DRD2MAP3K7DRD4DRD3ABL1
SCHEMBL7347732 0.92 MAP3K7 (0.39) DRD2MAP3K7RXFP1JAK2ABL1
SCHEMBL7778595 0.91 AVPR2 (0.42) DRD2MAP3K7
SCHEMBL7338910 0.91 NAMPT (0.41) NAMPTMAP3K7BRPF1KDM4ETDP1
SCHEMBL7780810 0.90 TP53 (0.42) DRD2BRPF1RXFP1TDP1BRD4
Hydrochloric Acid SCHEMBL7780742 0.90 NAMPT (0.40) NAMPTMAP3K7BRPF1KDM4ETDP1
SCHEMBL7345641 0.90 WDR5 (0.37) DRD2MAP3K7BRPF1ABL1SRC
SCHEMBL7339388 0.89 AVPR2 (0.42) DRD2RXFP1

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