SCHEMBL7340696

SCHEMBL7340696

COc1cc(C(=O)N(C)c2ccc(C)cc2OCCCCNC(=O)N2CCC(N(C)C)CC2)ccc1NC(=O)c1ccccc1OCCCN

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 2/20 0.39
AVPR1A P37288 2/20 0.39
AVPR1B P47901 2/20 0.39
NAMPT P43490 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
GLA P06280 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
TP53 P04637 1/20 0.36
GAA P10253 1/20 0.36
MAPT P10636 2/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
SMO Q99835 1/20 0.35
DRD2 P14416 1/20 0.35
HSP90AA1 P07900 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
BRD4 O60885 2/20 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
Hydrochloric Acid SCHEMBL7341534 0.99 AVPR2 (0.39) AVPR2AVPR1AAVPR1BNAMPTKMT2A
SCHEMBL7338910 0.92 NAMPT (0.41) NAMPTLMNATP53GAAMAPT
Hydrochloric Acid SCHEMBL7780742 0.92 NAMPT (0.40) NAMPTLMNATP53GAAMAPT
SCHEMBL7340438 0.91 ABL1 (0.38) AVPR2AVPR1AAVPR1BNAMPTKMT2A
SCHEMBL7338630 0.90 AVPR2 (0.46) AVPR2AVPR1AAVPR1BLMNATP53
Hydrochloric Acid SCHEMBL7780840 0.90 AVPR2 (0.45) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL7338676 0.89 AVPR2 (0.40) AVPR2AVPR1AAVPR1BLMNATP53
Hydrochloric Acid SCHEMBL7780856 0.88 AVPR2 (0.39) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL7780645 0.88 AVPR2 (0.41) AVPR2AVPR1AAVPR1BKMT2ATP53
Hydrochloric Acid SCHEMBL7780587 0.87 AVPR2 (0.41) AVPR2AVPR1AAVPR1BKMT2ATP53

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