SCHEMBL8635109

SCHEMBL8635109

COC1CCc2cc(Cl)ccc2N(C(=O)c2ccc(NC(=O)c3ccccc3OCCCN3CCC(NC(C)=O)CC3)cc2)C1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AVPR2 P30518 10/20 0.44
AVPR1A P37288 6/20 0.44
CYP2C9 P11712 1/20 0.41
POLB P06746 1/20 0.40
HTR7 P34969 4/20 0.40
HTR1A P08908 2/20 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
SCHEMBL8632240 0.90 AVPR2 (0.44) AVPR2AVPR1ACYP2C9HTR1A
SCHEMBL8627388 0.84 AVPR2 (0.45) AVPR2AVPR1ACYP2C9
SCHEMBL4687283 0.82 AVPR2 (0.51) AVPR2AVPR1APOLB
SCHEMBL4687300 0.76 AVPR2 (0.43) AVPR2AVPR1AHTR1A
SCHEMBL8630825 0.75 AVPR2 (0.40) AVPR2HTR1A
SCHEMBL8632578 0.72 AVPR2 (0.44) AVPR2AVPR1A
SCHEMBL8627652 0.71 AVPR2 (0.43) AVPR2AVPR1A
SCHEMBL4687327 0.70 AVPR2 (0.55) AVPR2AVPR1APOLB
SCHEMBL7348955 0.70 AVPR2 (0.55) AVPR2AVPR1A
SCHEMBL4683205 0.69 AVPR2 (0.52) AVPR2AVPR1A

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