SCHEMBL8961730

SCHEMBL8961730

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)NCCN(C)C)c4ccccc43)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 18/20 0.54
AVPR1A P37288 11/20 0.54
AVPR1B P47901 1/20 0.48
OXTR P30559 1/20 0.47

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
SCHEMBL8961661 0.90 AVPR2 (0.54) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6970491 0.89 AVPR2 (0.61) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6971717 0.88 AVPR2 (0.66) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6966098 0.87 AVPR2 (0.55) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8961687 0.87 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL6963025 0.87 AVPR2 (0.57) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6970699 0.86 AVPR2 (0.62) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6964828 0.85 AVPR2 (0.57) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL8961739 0.84 AVPR2 (0.60) AVPR2AVPR1AAVPR1BOXTR
SCHEMBL6960105 0.84 AVPR2 (0.59) AVPR2AVPR1AAVPR1BOXTR

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
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