SCHEMBL6971564

SCHEMBL6971564

CCOC(=O)CN1C(=O)CC(C)(C)N(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(C)cc3)cc2)c2ccccc21

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 16/20 0.54
ALDH1A1 P00352 1/20 0.41
AVPR1A P37288 6/20 0.41
OXTR P30559 1/20 0.40
GAA P10253 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
LMNA P02545 1/20 0.39

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
SCHEMBL6965609 0.90 AVPR2 (0.48) AVPR2AVPR1AOXTRNPSR1
SCHEMBL6964067 0.85 AVPR2 (0.47) AVPR2AVPR1AOXTR
SCHEMBL6971296 0.84 AVPR2 (0.65) AVPR2AVPR1AOXTR
SCHEMBL6972433 0.83 AVPR2 (0.54) AVPR2ALDH1A1AVPR1AOXTR
SCHEMBL6969981 0.81 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL6973411 0.79 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL6970545 0.79 AVPR2 (0.61) AVPR2AVPR1AOXTR
SCHEMBL6973134 0.79 NPSR1 (0.47) ALDH1A1GAANPSR1LMNA
SCHEMBL6964828 0.78 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL6963125 0.78 AVPR2 (0.69) AVPR2AVPR1AOXTR

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