SCHEMBL7839446

SCHEMBL7839446

COc1cc(C(=O)N2CCC(CCN3CCC(NC(=O)N4CCN(CC(=O)O)CC4)(c4ccccn4)CC3)(c3ccccc3)C2)cc(OC)c1OC

nearest known ligand 0.56

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 4/20 0.53
TACR2 P21452 3/20 0.53
TACR1 P25103 3/20 0.53
TACR3 P29371 1/20 0.53

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
SCHEMBL7844486 0.94 TACR2 (0.62) HRH1TACR2TACR1TACR3
SCHEMBL7846070 0.93 TACR2 (0.51) HRH1TACR2TACR1TACR3
SCHEMBL7838203 0.92 TACR2 (0.58) HRH1TACR2TACR1TACR3
SCHEMBL7842751 0.89 TACR2 (0.46) HRH1TACR2TACR1TACR3
SCHEMBL7839377 0.88 TACR2 (0.56) HRH1TACR2TACR1TACR3
SCHEMBL7845638 0.87 TACR2 (0.61) HRH1TACR2TACR1TACR3
SCHEMBL7839054 0.86 TACR2 (0.56) HRH1TACR2TACR1TACR3
SCHEMBL7842764 0.86 TACR2 (0.58) HRH1TACR2TACR1TACR3
SCHEMBL7839906 0.86 TACR2 (0.57) HRH1TACR2TACR1TACR3
SCHEMBL7842200 0.86 TACR2 (0.54) HRH1TACR2TACR1TACR3

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
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
EP-0946545-A1 NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1999-10-06 EP disclosed
WO-1998027085-A1 NOVEL CARBOXY SUBSTITUTED CYCLIC CARBOXAMIDE DERIVATIVES HOECHST MARION ROUSSEL, INC. (US) 1998-06-25 WO disclosed