SCHEMBL6971642

SCHEMBL6971642

CCOC(=O)CN1C(=O)CCN(C(=O)c2ccc(NC(=O)c3ccccc3-c3ccc(C)cc3)c(C)c2)c2ccc(C)cc21

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 11/20 0.50
AVPR1A P37288 6/20 0.42
AVPR1B P47901 5/20 0.42
OXTR P30559 1/20 0.42
BACE1 P56817 1/20 0.40
MTTP P55157 1/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 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
SCHEMBL6957034 0.95 AVPR2 (0.53) AVPR2AVPR1AAVPR1BOXTRBACE1
SCHEMBL6967409 0.94 AVPR2 (0.48) AVPR2AVPR1AAVPR1BOXTRBACE1
SCHEMBL6959303 0.92 AVPR1A (0.52) AVPR2AVPR1AAVPR1BMTTPTP53
SCHEMBL6967424 0.91 AVPR2 (0.46) AVPR2AVPR1AAVPR1BOXTRMTTP
SCHEMBL6973411 0.90 AVPR2 (0.61) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL7134697 0.89 AVPR2 (0.52) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6968185 0.88 AVPR1A (0.54) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL6969981 0.87 AVPR2 (0.61) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8961667 0.87 AVPR2 (0.47) AVPR2AVPR1AAVPR1BOXTRMTTP
SCHEMBL6971739 0.87 AVPR1A (0.50) AVPR2AVPR1AAVPR1BMTTPALDH1A1

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