SCHEMBL8632078

SCHEMBL8632078

COC1(CC(N)=O)C(CCC2CCCN2C)CCc2cc(Cl)ccc2N1C(=O)c1ccc(NC(=O)c2ccccc2Cl)cc1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR1A P37288 6/20 0.42
AVPR2 P30518 5/20 0.42
HSD11B1 P28845 3/20 0.42
CHRM3 P20309 3/20 0.38
AVPR1B P47901 1/20 0.37
WDR5 P61964 1/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36

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
SCHEMBL8630006 0.91 AVPR2 (0.42) AVPR1AAVPR2HSD11B1CHRM3AVPR1B
SCHEMBL8634000 0.87 AVPR1A (0.41) AVPR1AAVPR2HSD11B1AVPR1BWDR5
SCHEMBL8634665 0.86 AVPR2 (0.41) AVPR1AAVPR2HSD11B1
SCHEMBL8635113 0.71 CHRM5 (0.42) AVPR1AAVPR2CHRM3AVPR1BWDR5
SCHEMBL8631725 0.71 AVPR2 (0.40) AVPR1AAVPR2HSD11B1CHRM3AVPR1B
SCHEMBL8631785 0.70 ABCB1 (0.38) AVPR1AAVPR2HSD11B1LMNATP53
Hydrochloric Acid SCHEMBL8634039 0.70 LMNA (0.45) AVPR1AAVPR2HSD11B1CHRM3AVPR1B
SCHEMBL8628617 0.70 AVPR1A (0.40) AVPR1AAVPR2AVPR1BWDR5LMNA
Hydrochloric Acid SCHEMBL8661682 0.70 LMNA (0.44) AVPR1AAVPR2HSD11B1CHRM3AVPR1B
SCHEMBL8632578 0.69 AVPR2 (0.44) AVPR1AAVPR2HSD11B1CHRM3AVPR1B

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