SCHEMBL8629470

SCHEMBL8629470

CCC(OC1CCc2cc(Cl)ccc2N(C(=O)c2ccc(N)cc2C)C1)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 6/20 0.50
TP53 P04637 2/20 0.33
LMNA P02545 2/20 0.32
PTPN11 Q06124 1/20 0.32
SCN9A Q15858 2/20 0.32
SCN5A Q14524 1/20 0.32
AVPR1A P37288 2/20 0.31
MAPT P10636 2/20 0.31

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
SCHEMBL8634049 0.93 AVPR2 (0.42) AVPR2TP53SCN9ASCN5AMAPT
SCHEMBL8627671 0.89 AVPR2 (0.37) AVPR2TP53LMNAMAPT
SCHEMBL8629473 0.85 AVPR2 (0.51) AVPR2TP53LMNAPTPN11SCN9A
SCHEMBL8634457 0.84 TP53 (0.34) AVPR2TP53SCN9ASCN5AMAPT
SCHEMBL8630392 0.80 ALDH1A1 (0.34) TP53LMNAMAPT
SCHEMBL8634051 0.77 AVPR2 (0.42) AVPR2TP53SCN9ASCN5AMAPT
SCHEMBL8633371 0.76 AVPR2 (0.49) AVPR2TP53LMNAMAPT
SCHEMBL8634667 0.75 AVPR2 (0.51) AVPR2TP53LMNAMAPT
SCHEMBL8633374 0.75 AVPR2 (0.52) AVPR2TP53LMNAMAPT
SCHEMBL8627674 0.74 AVPR2 (0.38) AVPR2TP53LMNAMAPT

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