SCHEMBL7839745

SCHEMBL7839745

CCOC(=O)CN1CCN(C(=O)NC2(c3ccccc3)CCN(CCC3(c4ccc(Cl)c(Cl)c4)CCN(C(=O)c4ccc(Cl)cc4)C3)CC2)CC1

nearest known ligand 0.55

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 16/20 0.55
TACR1 P25103 16/20 0.55
TACR3 P29371 2/20 0.51
HRH1 P35367 1/20 0.51

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
SCHEMBL7831256 0.96 TACR2 (0.59) TACR2TACR1TACR3HRH1
SCHEMBL7838239 0.93 TACR2 (0.57) TACR2TACR1TACR3HRH1
SCHEMBL7839864 0.92 TACR2 (0.54) TACR2TACR1TACR3HRH1
SCHEMBL7855596 0.91 TACR2 (0.60) TACR2TACR1TACR3HRH1
SCHEMBL7842722 0.91 TACR2 (0.53) TACR2TACR1TACR3HRH1
SCHEMBL7842755 0.90 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL7831651 0.90 TACR2 (0.65) TACR2TACR1TACR3HRH1
SCHEMBL7842026 0.90 TACR2 (0.54) TACR2TACR1TACR3HRH1
SCHEMBL7841044 0.90 TACR2 (0.65) TACR2TACR1TACR3HRH1
Hydrochloric Acid SCHEMBL7843761 0.90 TACR2 (0.64) 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 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