SCHEMBL7844486

SCHEMBL7844486

COc1cc(C(=O)N2CCC(CCN3CCC(NC(=O)N4CCN(CC(=O)O)CC4)(c4ccccn4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 4/20 0.62
TACR1 P25103 4/20 0.62
TACR3 P29371 1/20 0.62
HRH1 P35367 1/20 0.62

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
SCHEMBL7839446 0.94 HRH1 (0.53) TACR2TACR1TACR3HRH1
SCHEMBL7839906 0.93 TACR2 (0.57) TACR2TACR1TACR3HRH1
SCHEMBL7831690 0.92 TACR2 (0.69) TACR2TACR1TACR3HRH1
SCHEMBL7832760 0.92 TACR2 (0.69) TACR2TACR1TACR3HRH1
SCHEMBL7845121 0.92 TACR2 (0.69) TACR2TACR1TACR3HRH1
SCHEMBL7837791 0.91 TACR2 (0.57) TACR2TACR1TACR3HRH1
SCHEMBL7839113 0.91 HRH1 (0.61) TACR2TACR1TACR3HRH1
SCHEMBL7831943 0.90 TACR2 (0.61) TACR2TACR1TACR3HRH1
SCHEMBL7839422 0.89 TACR2 (0.62) TACR2TACR1TACR3HRH1
SCHEMBL7831563 0.89 TACR2 (0.62) TACR2TACR1TACR3HRH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0946545-B1 NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES AVENTIS PHARMA INC (US) 2001-09-05 EP disclosed
US-5977139-A Carboxysubstituted cyclic carboxamide derivatives HOECHST MARION ROUSSEL, INC. (US) 1999-11-02 US disclosed