SCHEMBL7345237

SCHEMBL7345237

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCC(N(C)C)CC2)ccc1NC(=O)c1ccccc1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.46
AVPR1A P37288 5/20 0.46
AVPR1B P47901 5/20 0.46
TP53 P04637 1/20 0.38
GAA P10253 1/20 0.38
LMNA P02545 2/20 0.36
GLA P06280 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
BRD4 O60885 1/20 0.35
BRPF1 P55201 1/20 0.35
KMT2A Q03164 1/20 0.35
KCNMA1 Q12791 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 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
SCHEMBL7343158 0.93 AVPR2 (0.46) AVPR2AVPR1AAVPR1BTP53GAA
Hydrochloric Acid SCHEMBL7780759 0.92 AVPR2 (0.46) AVPR2AVPR1AAVPR1BTP53GAA
SCHEMBL7338630 0.92 AVPR2 (0.46) AVPR2AVPR1AAVPR1BTP53GAA
SCHEMBL7343257 0.92 AVPR2 (0.42) AVPR2AVPR1AAVPR1BTP53GAA
SCHEMBL7348689 0.92 AVPR2 (0.45) AVPR2AVPR1AAVPR1BTP53GAA
Hydrochloric Acid SCHEMBL7780840 0.92 AVPR2 (0.45) AVPR2AVPR1AAVPR1BTP53GAA
SCHEMBL7778279 0.91 AVPR2 (0.47) AVPR2AVPR1AAVPR1BTP53GAA
Hydrochloric Acid SCHEMBL7780609 0.91 AVPR2 (0.44) AVPR2AVPR1AAVPR1BTP53GAA
SCHEMBL7345412 0.89 AVPR2 (0.43) AVPR2AVPR1AAVPR1BTP53GAA
SCHEMBL7345832 0.89 AVPR2 (0.46) AVPR2AVPR1AAVPR1BLMNABRD4

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 4 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
EP-0832061-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1998-04-01 EP disclosed
WO-1996041795-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-12-27 WO disclosed