SCHEMBL6972149

SCHEMBL6972149

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccccc3C)c(Cl)c2)c2ccccc21

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.45
AVPR1A P37288 5/20 0.40
CCKAR P32238 2/20 0.39
CCKBR P32239 2/20 0.39
AVPR1B P47901 2/20 0.39
LMNA P02545 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 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
SCHEMBL6960384 0.94 AVPR2 (0.43) AVPR2AVPR1ACCKARCCKBRAVPR1B
SCHEMBL6972648 0.91 AVPR2 (0.49) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL6970362 0.90 AVPR1A (0.49) AVPR2AVPR1AAVPR1B
SCHEMBL6970606 0.88 AVPR2 (0.40) AVPR2AVPR1AAVPR1BLMNA
SCHEMBL6970160 0.87 AVPR2 (0.53) AVPR2AVPR1A
SCHEMBL6967250 0.87 AVPR2 (0.46) AVPR2AVPR1AAVPR1B
SCHEMBL8961719 0.85 AVPR2 (0.47) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL6957034 0.85 AVPR2 (0.53) AVPR2AVPR1AAVPR1BTP53
SCHEMBL6970232 0.85 AVPR1A (0.47) AVPR2AVPR1AAVPR1BLMNATP53
SCHEMBL6964971 0.84 AVPR2 (0.48) AVPR2AVPR1AAVPR1B

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