SCHEMBL6970232

SCHEMBL6970232

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 9/20 0.47
AVPR1B P47901 6/20 0.47
AVPR2 P30518 10/20 0.43
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL8961732 0.96 AVPR1A (0.47) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6970362 0.94 AVPR1A (0.49) AVPR1AAVPR1BAVPR2PDCD1CD274
SCHEMBL6969281 0.92 AVPR1A (0.51) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6968185 0.91 AVPR1A (0.54) AVPR1AAVPR1BAVPR2PDCD1CD274
SCHEMBL6960384 0.91 AVPR2 (0.43) AVPR1AAVPR1BAVPR2TP53
SCHEMBL6959303 0.89 AVPR1A (0.52) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6965212 0.88 AVPR2 (0.53) AVPR1AAVPR2
SCHEMBL9414294 0.88 AVPR1A (0.47) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL8961670 0.88 AVPR1A (0.45) AVPR1AAVPR1BAVPR2LMNATP53
SCHEMBL6960071 0.86 AVPR1A (0.53) 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 2 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