SCHEMBL7340880

SCHEMBL7340880

Cc1ccc(N(C)C(=O)c2ccc(NC(=O)c3ccccc3OCc3ccccc3)nc2)c(OCCCCCC(=O)N2CCC(N(C)C)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 2/20 0.42
AVPR2 P30518 2/20 0.40
AVPR1A P37288 2/20 0.40
AVPR1B P47901 2/20 0.40
SGMS2 Q8NHU3 1/20 0.38
KDM4E B2RXH2 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
CXCR2 P25025 1/20 0.37
LRRK2 Q5S007 2/20 0.36
MET P08581 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM5A P29375 1/20 0.35
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
Hydrochloric Acid SCHEMBL7375753 0.92 AVPR2 (0.39) AVPR2AVPR1AAVPR1BKDM4ERXFP1
SCHEMBL7336955 0.90 AVPR2 (0.40) AVPR2AVPR1AAVPR1BKDM4ERXFP1
SCHEMBL7338327 0.88 AVPR2 (0.43) AVPR2AVPR1AAVPR1BKDM4EMEN1
SCHEMBL7339160 0.88 AVPR2 (0.37) AVPR2AVPR1AAVPR1BKDM4ERXFP1
SCHEMBL7340008 0.84 CYP19A1 (0.40) AVPR2AVPR1AAVPR1BSGMS2KDM4E
SCHEMBL7781259 0.83 NPC1 (0.42) KDM4EMEN1KMT2A
SCHEMBL7336278 0.82 AVPR2 (0.48) AVPR2AVPR1AAVPR1BKDM4EMEN1
SCHEMBL7343158 0.81 AVPR2 (0.46) AVPR2AVPR1AAVPR1BRXFP1GAA
SCHEMBL7342173 0.81 AVPR2 (0.43) AVPR2AVPR1AAVPR1BGAA
Hydrochloric Acid SCHEMBL7780759 0.81 AVPR2 (0.46) AVPR2AVPR1AAVPR1BRXFP1GAA

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