SCHEMBL8961708

SCHEMBL8961708

Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCC(=O)N(CC(=O)NCCN3CCCCC3)c3ccccc32)cc1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 13/20 0.51
AVPR1A P37288 8/20 0.50
OXTR P30559 2/20 0.49
AVPR1B P47901 1/20 0.46

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 0.93 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL8961731 0.88 AVPR1A (0.52) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6966646 0.85 AVPR1A (0.56) AVPR2AVPR1AOXTR
SCHEMBL9414289 0.85 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL8961687 0.84 AVPR2 (0.65) AVPR2AVPR1A
SCHEMBL8961685 0.84 AVPR1A (0.51) AVPR2AVPR1AOXTR
SCHEMBL8961644 0.82 AVPR2 (0.51) AVPR2AVPR1AOXTR
SCHEMBL6958332 0.82 AVPR1A (0.50) AVPR2AVPR1AOXTR
SCHEMBL6961515 0.82 AVPR2 (0.53) AVPR2AVPR1AOXTRAVPR1B
SCHEMBL6970160 0.82 AVPR2 (0.53) AVPR2AVPR1AOXTR

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