SCHEMBL7840728

SCHEMBL7840728

CCOC(=O)CN1CCN(C(=O)NC2(c3ccccn3)CCN(CCC3(c4ccccc4)CCN(C(=O)c4ccccc4)C3)CC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 11/20 0.42
TACR1 P25103 11/20 0.42
HRH1 P35367 3/20 0.39
TACR3 P29371 1/20 0.38

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
SCHEMBL7838921 0.93 TACR2 (0.52) TACR2TACR1HRH1TACR3
SCHEMBL7846070 0.91 TACR2 (0.51) TACR2TACR1HRH1TACR3
SCHEMBL7840870 0.91 TACR2 (0.47) TACR2TACR1HRH1TACR3
SCHEMBL7842751 0.90 TACR2 (0.46) TACR2TACR1HRH1TACR3
SCHEMBL7839015 0.90 TACR2 (0.43) TACR2TACR1HRH1
SCHEMBL7838306 0.89 TACR2 (0.42) TACR2TACR1HRH1
SCHEMBL7839906 0.85 TACR2 (0.57) TACR2TACR1HRH1TACR3
SCHEMBL7831256 0.84 TACR2 (0.59) TACR2TACR1HRH1TACR3
SCHEMBL7839446 0.83 HRH1 (0.53) TACR2TACR1HRH1TACR3
SCHEMBL7837791 0.83 TACR2 (0.57) TACR2TACR1HRH1TACR3

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