SCHEMBL8309917

SCHEMBL8309917

COc1cc(C(=O)N2CCC(CCN3CCC(NC(=O)N4CCN(CCCC(=O)O)CC4)(c4ccccc4)CC3)(c3ccc(Cl)c(Cl)c3)C2)cc(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 7/20 0.68
TACR1 P25103 7/20 0.68
HRH1 P35367 2/20 0.68
TACR3 P29371 1/20 0.68

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
SCHEMBL7830733 1.00 TACR2 (0.68) TACR2TACR1HRH1TACR3
SCHEMBL7841621 1.00 TACR2 (0.68) TACR2TACR1HRH1TACR3
SCHEMBL7841462 0.97 TACR2 (0.70) TACR2TACR1HRH1TACR3
SCHEMBL7840704 0.97 TACR2 (0.70) TACR2TACR1HRH1TACR3
SCHEMBL8316130 0.97 TACR2 (0.70) TACR2TACR1HRH1TACR3
SCHEMBL7832760 0.94 TACR2 (0.69) TACR2TACR1HRH1TACR3
SCHEMBL7845121 0.94 TACR2 (0.69) TACR2TACR1HRH1TACR3
SCHEMBL7831690 0.94 TACR2 (0.69) TACR2TACR1HRH1TACR3
SCHEMBL7841840 0.93 TACR2 (0.64) TACR2TACR1HRH1TACR3
SCHEMBL7832449 0.93 TACR2 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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