SCHEMBL6972707

SCHEMBL6972707

CCOC(=O)CC1CCCN(C(=O)c2ccc(N)cc2)c2ccccc21

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 8/20 0.47
AVPR2 P30518 7/20 0.47
OXTR P30559 3/20 0.45
PRKACA P17612 1/20 0.44
PRKACG P22612 1/20 0.44
PRKACB P22694 1/20 0.44
ABCB11 O95342 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM1 P11229 1/20 0.42
SLC6A4 P31645 1/20 0.42
ADRA1A P35348 1/20 0.42
OPRM1 P35372 1/20 0.42
AVPR1B P47901 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
SCHEMBL6957920 0.86 AVPR2 (0.43) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7345463 0.84 AVPR1A (0.46) AVPR1AAVPR2OXTRABCB11HTR1A
SCHEMBL6965604 0.80 AVPR2 (0.61) AVPR1AAVPR2OXTRABCB11HTR1A
SCHEMBL6962598 0.79 AVPR2 (0.61) AVPR1AAVPR2OXTRABCB11HTR1A
SCHEMBL7345080 0.78 AVPR2 (0.57) AVPR1AAVPR2OXTRABCB11HTR1A
SCHEMBL7347556 0.77 AVPR1A (0.54) AVPR1AAVPR2OXTRABCB11HTR1A
SCHEMBL6969586 0.77 AVPR2 (0.51) AVPR1AAVPR2OXTR
SCHEMBL4697098 0.76 HDAC1 (0.42) AVPR1AAVPR2
SCHEMBL4682585 0.76 HDAC1 (0.42) AVPR1AAVPR2ABCB11HTR1ACHRM1
SCHEMBL7353739 0.76 AVPR1A (0.57) AVPR1AAVPR2OXTRABCB11HTR1A

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