SCHEMBL6964282

SCHEMBL6964282

Cc1ccccc1-c1ccccc1C(=O)Nc1ccc(C(=O)N2CCCC(O)c3ccccc32)cc1

nearest known ligand 0.85

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.85
AVPR1A P37288 10/20 0.85
ABCB11 O95342 1/20 0.67
HTR1A P08908 1/20 0.67
CHRM1 P11229 1/20 0.67
OXTR P30559 1/20 0.67
SLC6A4 P31645 1/20 0.67
ADRA1A P35348 1/20 0.67
OPRM1 P35372 1/20 0.67
AVPR1B P47901 1/20 0.67

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
SCHEMBL7344415 0.92 AVPR2 (1.00) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL6971372 0.88 AVPR1A (0.86) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL6965061 0.87 AVPR2 (0.65) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL6965604 0.84 AVPR2 (0.61) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL16649981 0.83 AVPR2 (0.82) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL7352235 0.82 AVPR2 (0.81) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL6971391 0.82 AVPR2 (0.79) AVPR2AVPR1AOXTR
SCHEMBL6969099 0.82 AVPR2 (0.59) AVPR2AVPR1AABCB11HTR1ACHRM1
SCHEMBL6967016 0.82 AVPR1A (0.64) AVPR2AVPR1AOXTR
SCHEMBL7346873 0.82 AVPR2 (0.80) AVPR2AVPR1AABCB11HTR1ACHRM1

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