SCHEMBL7384728

SCHEMBL7384728

O=C(O)[C@@H]1CN(C(=O)N(c2ccccc2)c2cccc(Cl)c2)CCN1C(=O)N(c1ccccc1)c1cccc(Cl)c1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.79
TACR1 P25103 4/20 0.58

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
SCHEMBL7384730 1.00 AGTR2 (0.79) AGTR2TACR1
SCHEMBL7389160 1.00 AGTR2 (0.79) AGTR2TACR1
SCHEMBL7389164 1.00 AGTR2 (0.79) AGTR2TACR1
SCHEMBL7941433 0.89 AGTR2 (1.00) AGTR2TACR1
SCHEMBL3516084 0.89 AGTR2 (1.00) AGTR2TACR1
SCHEMBL7383952 0.86 TACR1 (0.83) TACR1
SCHEMBL3514054 0.86 TACR1 (0.83) TACR1
SCHEMBL7387479 0.86 AGTR2 (0.57) AGTR2TACR1
SCHEMBL5034004 0.86 AGTR2 (0.57) AGTR2TACR1
SCHEMBL7932680 0.83 TACR1 (0.80) TACR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995000498-A1 N,N-DIACYLPIPERAZINES MERCK & CO., INC. (US) 1995-01-05 WO disclosed
US-5348955-A Angiotensis II antagonists MERCK & CO., INC. (US) 1994-09-20 US disclosed
US-5292726-A N,N-diacylpiperazines MERCK & CO., INC. (US) 1994-03-08 US disclosed
WO-1992020661-A1 N, N-DIACYLPIPERAZINES MERCK & CO., INC. (US) 1992-11-26 WO disclosed