SCHEMBL8634053

SCHEMBL8634053

COc1cc(N)ccc1C(=O)N1c2ccc(Cl)cc2CCCC1OCCCOS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 1/20 0.41
POLB P06746 1/20 0.35
TP53 P04637 5/20 0.35
KMT2A Q03164 1/20 0.35
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
MAPT P10636 2/20 0.33
NR3C1 P04150 1/20 0.33
CASP3 P42574 1/20 0.33
CASP7 P55210 1/20 0.33

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
SCHEMBL8627190 0.96 AVPR2 (0.42) AVPR2POLBTP53KMT2ASCN5A
SCHEMBL8629474 0.92 AVPR2 (0.51) AVPR2TP53MAPTNR3C1CASP3
SCHEMBL8634463 0.89 KMT2A (0.35) POLBTP53KMT2AMAPT
SCHEMBL8630767 0.87 AVPR2 (0.41) AVPR2POLBTP53KMT2ASCN5A
SCHEMBL8633374 0.87 AVPR2 (0.52) AVPR2TP53KMT2AMAPTNR3C1
SCHEMBL8630164 0.87 TSHR (0.38) POLBTP53KMT2AMAPT
SCHEMBL8634051 0.86 AVPR2 (0.42) AVPR2POLBTP53SCN5ASCN9A
SCHEMBL8627538 0.85 KCNMA1 (0.36) POLBTP53KMT2AMAPT
SCHEMBL8627187 0.85 AVPR2 (0.40) AVPR2POLBTP53KMT2ASCN5A
SCHEMBL8627677 0.83 AVPR2 (0.38) AVPR2POLBTP53KMT2AMAPT

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