SCHEMBL6965609

SCHEMBL6965609

Cc1ccc(-c2ccccc2C(=O)Nc2ccc(C(=O)N3c4ccccc4N(CC(=O)O)C(=O)CC3(C)C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 19/20 0.48
AVPR1A P37288 8/20 0.44
OXTR P30559 1/20 0.44
MEN1 O00255 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CRHBP P24387 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
CRHR2 Q13324 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6971564 0.90 AVPR2 (0.54) AVPR2AVPR1AOXTRNPSR1
SCHEMBL6964067 0.88 AVPR2 (0.47) AVPR2AVPR1AOXTR
SCHEMBL6968495 0.84 AVPR2 (0.54) AVPR2AVPR1AOXTR
SCHEMBL6963025 0.83 AVPR2 (0.57) AVPR2AVPR1AOXTR
SCHEMBL6965490 0.82 AVPR2 (0.46) AVPR2AVPR1AOXTR
SCHEMBL6958676 0.79 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL6969840 0.78 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL6964270 0.78 AVPR2 (0.53) AVPR2AVPR1AOXTR
SCHEMBL7087152 0.76 AVPR2 (0.71) AVPR2AVPR1AOXTR
SCHEMBL6969201 0.76 AVPR2 (0.52) 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 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