SCHEMBL8961819

SCHEMBL8961819

COc1cc(NC(=O)c2ccccc2-c2ccc(C)cc2)ccc1C(=O)N1CCC(=O)N(CC(=O)O)c2ccccc21

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 12/20 0.57
AVPR1A P37288 4/20 0.57
AVPR1B P47901 1/20 0.57
MTTP P55157 3/20 0.44
HTT P42858 1/20 0.44
ACHE P22303 2/20 0.44

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
SCHEMBL6971762 0.92 AVPR2 (0.53) AVPR2AVPR1AAVPR1BMTTPHTT
SCHEMBL6966416 0.90 AVPR2 (0.53) AVPR2AVPR1AAVPR1BMTTPACHE
SCHEMBL6963025 0.86 AVPR2 (0.57) AVPR2AVPR1AAVPR1B
SCHEMBL6970821 0.85 AVPR1A (0.57) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL6969714 0.83 AVPR2 (0.49) AVPR2AVPR1AAVPR1B
SCHEMBL6958676 0.83 AVPR2 (0.53) AVPR2AVPR1AAVPR1B
SCHEMBL6964270 0.83 AVPR2 (0.53) AVPR2AVPR1AAVPR1B
SCHEMBL6964828 0.82 AVPR2 (0.57) AVPR2AVPR1AAVPR1B
SCHEMBL6965230 0.81 AVPR1A (0.56) AVPR2AVPR1AAVPR1BMTTP
SCHEMBL6969840 0.81 AVPR2 (0.53) AVPR2AVPR1AAVPR1B

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