SCHEMBL6960384

SCHEMBL6960384

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(C)cc3C)c(Cl)c2)c2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.43
TP53 P04637 4/20 0.40
AVPR1A P37288 4/20 0.38
RAB9A P51151 1/20 0.38
CCKAR P32238 1/20 0.38
CCKBR P32239 1/20 0.38
AVPR1B P47901 1/20 0.37
POLB P06746 1/20 0.37
ALDH1A1 P00352 1/20 0.36

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
SCHEMBL6972149 0.94 AVPR2 (0.45) AVPR2TP53AVPR1ACCKARCCKBR
SCHEMBL8961719 0.91 AVPR2 (0.47) AVPR2TP53AVPR1ARAB9AAVPR1B
SCHEMBL6970232 0.91 AVPR1A (0.47) AVPR2TP53AVPR1AAVPR1B
SCHEMBL6965212 0.89 AVPR2 (0.53) AVPR2AVPR1A
SCHEMBL8961732 0.87 AVPR1A (0.47) AVPR2TP53AVPR1AAVPR1BALDH1A1
SCHEMBL6972403 0.87 AVPR2 (0.44) AVPR2TP53AVPR1ARAB9ACCKBR
SCHEMBL6967699 0.86 AVPR1A (0.44) AVPR2TP53AVPR1A
SCHEMBL6957034 0.85 AVPR2 (0.53) AVPR2TP53AVPR1AAVPR1BALDH1A1
SCHEMBL6972648 0.85 AVPR2 (0.49) AVPR2TP53AVPR1AAVPR1B
SCHEMBL6970362 0.85 AVPR1A (0.49) AVPR2AVPR1AAVPR1BALDH1A1

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