SCHEMBL7348689

SCHEMBL7348689

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCCC(=O)N2CCC(N(C)C)CC2)ccc1NC(=O)c1ccccc1OCCCNC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 4/20 0.45
AVPR1A P37288 4/20 0.45
AVPR1B P47901 4/20 0.45
LMNA P02545 2/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
BCHE P06276 1/20 0.35
ACHE P22303 1/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 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
Hydrochloric Acid SCHEMBL7780609 0.99 AVPR2 (0.44) AVPR2AVPR1AAVPR1BLMNAMAPT
SCHEMBL7345412 0.93 AVPR2 (0.43) AVPR2AVPR1AAVPR1BLMNATP53
Hydrochloric Acid SCHEMBL7337837 0.93 AVPR2 (0.43) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL7343158 0.92 AVPR2 (0.46) AVPR2AVPR1AAVPR1BLMNAMAPT
SCHEMBL7339138 0.92 AVPR2 (0.43) AVPR2AVPR1AAVPR1BKMT2ADRD2
Hydrochloric Acid SCHEMBL7348615 0.92 AVPR2 (0.41) AVPR2AVPR1AAVPR1BLMNAMAPT
Hydrochloric Acid SCHEMBL7780759 0.92 AVPR2 (0.46) AVPR2AVPR1AAVPR1BLMNAMAPT
SCHEMBL7345237 0.92 AVPR2 (0.46) AVPR2AVPR1AAVPR1BLMNAMAPT
SCHEMBL7338630 0.92 AVPR2 (0.46) AVPR2AVPR1AAVPR1BLMNAMAPT
Hydrochloric Acid SCHEMBL7780840 0.91 AVPR2 (0.45) AVPR2AVPR1AAVPR1BLMNAMAPT

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