SCHEMBL8575222

SCHEMBL8575222

COC(=O)CN1CCN(C(=O)NC2(c3ccccc3)CCN(CCC3(c4cccc(OC)c4)CCN(C(=O)c4cc(OC)c(OC)c(OC)c4)C3)CC2)CC1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 5/20 0.56
TACR1 P25103 5/20 0.56
HRH1 P35367 2/20 0.56
TACR3 P29371 1/20 0.56

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
SCHEMBL7839054 0.95 TACR2 (0.56) TACR2TACR1HRH1TACR3
SCHEMBL7841982 0.95 TACR2 (0.53) TACR2TACR1HRH1TACR3
SCHEMBL7856221 0.91 TACR2 (0.68) TACR2TACR1HRH1TACR3
SCHEMBL7838203 0.89 TACR2 (0.58) TACR2TACR1HRH1TACR3
SCHEMBL7831137 0.89 TACR2 (0.55) TACR2TACR1HRH1TACR3
SCHEMBL7842764 0.88 TACR2 (0.58) TACR2TACR1HRH1TACR3
SCHEMBL7843776 0.88 TACR2 (0.55) TACR2TACR1HRH1TACR3
SCHEMBL7856228 0.88 TACR2 (0.56) TACR2TACR1HRH1TACR3
SCHEMBL7845638 0.88 TACR2 (0.61) TACR2TACR1HRH1TACR3
SCHEMBL7842004 0.88 TACR2 (0.53) 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