SCHEMBL6971575

SCHEMBL6971575

Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(=O)N(CC(=O)N3CCN(C)CC3)c3ccccc32)cc1[N+](=O)[O-]

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 5/20 0.42
AVPR1A P37288 4/20 0.42
AVPR1B P47901 3/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
GAA P10253 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
WDR5 P61964 1/20 0.37

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
SCHEMBL6964131 0.90 MEN1 (0.42) AVPR2AVPR1AAVPR1BALDH1A1MAPT
SCHEMBL6967250 0.89 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL6957577 0.87 AVPR1A (0.49) AVPR2AVPR1AAVPR1B
SCHEMBL6970606 0.87 AVPR2 (0.40) AVPR2AVPR1AAVPR1BALDH1A1MAPT
SCHEMBL6961515 0.85 AVPR2 (0.53) AVPR2AVPR1AAVPR1B
SCHEMBL6972403 0.83 AVPR2 (0.44) AVPR2AVPR1AAVPR1BLMNAPOLB
SCHEMBL9414294 0.82 AVPR1A (0.47) AVPR2AVPR1AAVPR1BLMNA
SCHEMBL6972088 0.82 CCKBR (0.39) AVPR2AVPR1AALDH1A1MAPTMEN1
SCHEMBL6965585 0.81 AVPR1A (0.51) AVPR2AVPR1AAVPR1B
SCHEMBL6968503 0.81 AVPR2 (0.48) AVPR2AVPR1A

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-0620216-B1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO (JP) 2003-01-08 EP disclosed
US-5521170-A VASOPRESSIN ANTAGONISTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-05-28 US disclosed
EP-0620216-A1 Benzamide derivatives and their use as vasopressin antagonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1994-10-19 EP disclosed