SCHEMBL13239408

SCHEMBL13239408

CS(=O)(=O)OC[C@@H]1CN(C(=O)c2ccc(N)cc2Cl)c2ccccc2CN1S(C)(=O)=O

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
AVPR2 P30518 17/20 0.38
OXTR P30559 2/20 0.36
AVPR1A P37288 2/20 0.36
HSD17B3 P37058 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
SCHEMBL2961930 0.92 LMNA (0.40) LMNASMN1; SMN2AVPR2OXTRAVPR1A
SCHEMBL13239413 0.92 LMNA (0.40) LMNASMN1; SMN2AVPR2OXTRAVPR1A
SCHEMBL13239411 0.86 RECQL (0.42) LMNASMN1; SMN2AVPR2
SCHEMBL2957677 0.81 AVPR2 (0.40) LMNASMN1; SMN2AVPR2OXTRAVPR1A
SCHEMBL2957847 0.81 MMP1 (0.42) LMNASMN1; SMN2AVPR2AVPR1A
SCHEMBL2961925 0.81 HSD17B3 (0.40) LMNASMN1; SMN2AVPR2AVPR1AHSD17B3
SCHEMBL13239401 0.81 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL2960734 0.81 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL2960127 0.79 AVPR2 (0.42) AVPR2OXTRAVPR1AHSD17B3
SCHEMBL2951584 0.79 AVPR2 (0.41) AVPR2OXTRAVPR1AHSD17B3

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-7763605-B2 [1,4]benzodiazepines as vasopressin V2 receptor antagonists JANSSEN PHARMACEUTICA, N.V. (BE) 2010-07-27 US disclosed