SCHEMBL7838306

SCHEMBL7838306

CCOC(=O)CN1CCN(C(=O)NC2(c3cccnc3)CCN(CCC3(c4ccccc4)CCN(C(=O)c4ccccc4)C3)CC2)CC1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR2 P21452 8/20 0.42
TACR1 P25103 8/20 0.42
HRH1 P35367 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41

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
SCHEMBL7842026 0.93 TACR2 (0.54) TACR2TACR1HRH1
SCHEMBL7839015 0.93 TACR2 (0.43) TACR2TACR1HRH1
SCHEMBL7840870 0.93 TACR2 (0.47) TACR2TACR1HRH1
SCHEMBL7839438 0.90 TACR2 (0.46) TACR2TACR1HRH1ALDH1A1LMNA
SCHEMBL7840728 0.89 TACR2 (0.42) TACR2TACR1HRH1
SCHEMBL7831256 0.86 TACR2 (0.59) TACR2TACR1HRH1
SCHEMBL7839864 0.86 TACR2 (0.54) TACR2TACR1HRH1
SCHEMBL7830495 0.85 TACR2 (0.57) TACR2TACR1HRH1
SCHEMBL7838749 0.85 TACR2 (0.57) TACR2TACR1HRH1
SCHEMBL7831701 0.85 TACR2 (0.57) TACR2TACR1HRH1

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