SCHEMBL8628393

SCHEMBL8628393

CN(C)C(=O)COc1ccc2c(c1)C(N(C)C)CCC(Cl)N2C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 3/20 0.42
AVPR1A P37288 3/20 0.42
CHRM1 P11229 2/20 0.42
ABCB11 O95342 1/20 0.42
HTR1A P08908 1/20 0.42
OXTR P30559 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
HSD11B1 P28845 1/20 0.40
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.38
ALOX12 P18054 1/20 0.38
CHRM5 P08912 1/20 0.38
CHRM3 P20309 1/20 0.38

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
SCHEMBL8628412 0.88 AVPR1A (0.44) AVPR2AVPR1ACHRM1ABCB11HTR1A
SCHEMBL8632229 0.85 AVPR1A (0.47) AVPR2AVPR1ACHRM1ABCB11HTR1A
SCHEMBL8717630 0.84 AVPR1A (0.57) AVPR2AVPR1ACHRM1ABCB11HTR1A
SCHEMBL4681804 0.80 AVPR2 (0.48) AVPR2AVPR1ACHRM1ABCB11HTR1A
SCHEMBL8716136 0.78 AVPR1A (0.47) AVPR2AVPR1ACHRM1ABCB11HTR1A
SCHEMBL8717780 0.77 AVPR1A (0.54) AVPR2AVPR1ACHRM1ABCB11HTR1A
SCHEMBL8712963 0.76 AVPR1A (0.69) AVPR2AVPR1ACHRM1ABCB11HTR1A
SCHEMBL8714659 0.76 AVPR1A (0.57) AVPR2AVPR1ACHRM1ABCB11HTR1A
SCHEMBL8718316 0.75 AVPR1A (0.56) AVPR2AVPR1ACHRM1ABCB11HTR1A
SCHEMBL8712973 0.73 AVPR1A (0.54) AVPR2AVPR1ACHRM1ABCB11HTR1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5753644-A Vasopressin antagonist and oxytocin antagonist OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-05-19 US disclosed