SCHEMBL7338917

SCHEMBL7338917

Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccccc3O)cc2N)c(OCCCCCC(=O)N2CCC(N(C)C)CC2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.38
AVPR1A P37288 3/20 0.38
AVPR1B P47901 3/20 0.38
RAB9A P51151 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 2/20 0.34
TP53 P04637 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
PNLIP P16233 2/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
MAPT P10636 2/20 0.33
PAX8 Q06710 1/20 0.33

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 SCHEMBL7342240 0.91 AVPR2 (0.37) AVPR2AVPR1AAVPR1BLMNAHTT
SCHEMBL7345595 0.87 RXFP1 (0.34) AVPR2AVPR1AAVPR1BKDM4ERXFP1
SCHEMBL7336955 0.85 AVPR2 (0.40) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7778279 0.85 AVPR2 (0.47) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
SCHEMBL7335858 0.85 AVPR2 (0.44) AVPR2AVPR1AAVPR1BRAB9ALMNA
SCHEMBL7340008 0.80 CYP19A1 (0.40) AVPR2AVPR1AAVPR1BMEN1KMT2A
SCHEMBL7338630 0.78 AVPR2 (0.46) AVPR2AVPR1AAVPR1BLMNAHTT
SCHEMBL7340679 0.78 AVPR2 (0.49) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7375753 0.78 AVPR2 (0.39) AVPR2AVPR1AAVPR1BRAB9ASMN1; SMN2
Hydrochloric Acid SCHEMBL7780840 0.78 AVPR2 (0.45) AVPR2AVPR1AAVPR1BLMNAHTT

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