SCHEMBL8961687

SCHEMBL8961687

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3CCC(=O)N(CC(=O)NCCN4CCOCC4)c4ccccc43)cc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 17/20 0.65
AVPR1A P37288 2/20 0.47
TSHR P16473 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
SCHEMBL9414279 0.91 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL8961739 0.89 AVPR2 (0.60) AVPR2AVPR1A
SCHEMBL8961730 0.87 AVPR2 (0.54) AVPR2AVPR1A
SCHEMBL6970499 0.84 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL8961661 0.84 AVPR2 (0.54) AVPR2AVPR1A
SCHEMBL6963025 0.84 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL8961708 0.84 AVPR2 (0.51) AVPR2AVPR1A
SCHEMBL6960105 0.83 AVPR2 (0.59) AVPR2AVPR1A
SCHEMBL6964828 0.83 AVPR2 (0.57) AVPR2AVPR1A
SCHEMBL6967669 0.83 AVPR2 (0.56) AVPR2AVPR1A

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