SCHEMBL6970362

SCHEMBL6970362

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

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 10/20 0.49
AVPR1B P47901 6/20 0.49
AVPR2 P30518 11/20 0.45
PDCD1 Q15116 2/20 0.39
CD274 Q9NZQ7 2/20 0.39
ALDH1A1 P00352 2/20 0.39
MAPT P10636 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
SCHEMBL6970232 0.94 AVPR1A (0.47) AVPR1AAVPR1BAVPR2PDCD1CD274
SCHEMBL6960071 0.92 AVPR1A (0.53) AVPR1AAVPR1BAVPR2PDCD1CD274
SCHEMBL6968185 0.91 AVPR1A (0.54) AVPR1AAVPR1BAVPR2PDCD1CD274
SCHEMBL8961732 0.91 AVPR1A (0.47) AVPR1AAVPR1BAVPR2ALDH1A1MAPT
SCHEMBL6972149 0.90 AVPR2 (0.45) AVPR1AAVPR1BAVPR2
SCHEMBL6970606 0.88 AVPR2 (0.40) AVPR1AAVPR1BAVPR2ALDH1A1MAPT
SCHEMBL6957577 0.88 AVPR1A (0.49) AVPR1AAVPR1BAVPR2
SCHEMBL6959303 0.87 AVPR1A (0.52) AVPR1AAVPR1BAVPR2
SCHEMBL6970160 0.87 AVPR2 (0.53) AVPR1AAVPR2
SCHEMBL6964451 0.87 AVPR1A (0.49) AVPR1AAVPR1BAVPR2PDCD1CD274

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