SCHEMBL7340438

SCHEMBL7340438

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCNC(=O)N2CCC(N(C)C)CC2)ccc1NC(=O)c1ccccc1OCCCNC(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.38
FYN P06241 1/20 0.38
SRC P12931 1/20 0.38
PTK6 Q13882 1/20 0.38
AVPR2 P30518 2/20 0.37
AVPR1A P37288 2/20 0.37
AVPR1B P47901 2/20 0.37
NAMPT P43490 1/20 0.36
DRD2 P14416 4/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
SMO Q99835 1/20 0.35
ATM Q13315 1/20 0.34
TP53 P04637 1/20 0.34
GAA P10253 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
SCHEMBL7339138 0.93 AVPR2 (0.43) ABL1FYNSRCPTK6AVPR2
SCHEMBL7342154 0.93 NAMPT (0.38) ABL1SRCNAMPTDRD2
SCHEMBL7340696 0.91 AVPR2 (0.39) AVPR2AVPR1AAVPR1BNAMPTDRD2
Hydrochloric Acid SCHEMBL7341534 0.90 AVPR2 (0.39) AVPR2AVPR1AAVPR1BNAMPTDRD2
SCHEMBL7780810 0.89 TP53 (0.42) DRD2KMT2ALMNAATMTP53
SCHEMBL7337083 0.88 AVPR2 (0.43) ABL1FYNSRCPTK6AVPR2
SCHEMBL7345297 0.88 MAPT (0.40) DRD2LMNAATMTP53GAA
SCHEMBL7346417 0.88 TP53 (0.42) DRD2KMT2ALMNAATMTP53
SCHEMBL7340542 0.87 AVPR2 (0.37) AVPR2AVPR1AAVPR1BDRD2KMT2A
SCHEMBL7338448 0.87 AVPR2 (0.37) AVPR2AVPR1AAVPR1BDRD2KMT2A

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