SCHEMBL8632240

SCHEMBL8632240

COC1CCc2cc(Cl)ccc2N(C(=O)c2ccc(NC(=O)c3ccccc3OCCCCN3CCN(C(C)=O)CC3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.44
AVPR1A P37288 6/20 0.44
CYP2C9 P11712 1/20 0.41
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
HTR2A P28223 1/20 0.40
ABCB1 P08183 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
EPHX2 P34913 1/20 0.39

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
SCHEMBL8635109 0.90 AVPR2 (0.44) AVPR2AVPR1ACYP2C9HTR1A
SCHEMBL8630825 0.85 AVPR2 (0.40) AVPR2HTR1ADRD2HTR2AABCB1
SCHEMBL8627388 0.83 AVPR2 (0.45) AVPR2AVPR1ACYP2C9ABCB1
SCHEMBL4687327 0.81 AVPR2 (0.55) AVPR2AVPR1AMAPTEPHX2
SCHEMBL4683205 0.80 AVPR2 (0.52) AVPR2AVPR1ALMNAMAPT
SCHEMBL7348955 0.74 AVPR2 (0.55) AVPR2AVPR1ALMNAMAPT
Hydrochloric Acid SCHEMBL7352307 0.71 AVPR2 (0.61) AVPR2AVPR1A
SCHEMBL4687283 0.71 AVPR2 (0.51) AVPR2AVPR1AMAPT
SCHEMBL7364823 0.70 AVPR2 (0.48) AVPR2
SCHEMBL4687300 0.69 AVPR2 (0.43) AVPR2AVPR1AHTR1ADRD2HTR2A

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