SCHEMBL1730277

SCHEMBL1730277

Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)ON1Cc2ccccc2C1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.66
KCNH2 Q12809 6/20 0.66
CYP3A4 P08684 1/20 0.61

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
SCHEMBL1730494 0.89 HRH3 (0.75) HRH3KCNH2CYP3A4
SCHEMBL1727985 0.87 HRH3 (0.73) HRH3KCNH2CYP3A4
SCHEMBL1730278 0.87 HRH3 (0.73) HRH3KCNH2CYP3A4
SCHEMBL1729785 0.86 HRH3 (0.80) HRH3KCNH2CYP3A4
SCHEMBL1728321 0.86 HRH3 (0.65) HRH3KCNH2CYP3A4
SCHEMBL1728186 0.85 HRH3 (0.62) HRH3KCNH2CYP3A4
SCHEMBL1728415 0.82 HRH3 (0.66) HRH3KCNH2CYP3A4
Cyclopropane SCHEMBL2427283 0.82 HRH3 (0.78) HRH3KCNH2CYP3A4
Trifluoroacetic Acid SCHEMBL1730324 0.81 HRH3 (0.71) HRH3KCNH2CYP3A4
SCHEMBL221547 0.80 HRH3 (0.87) HRH3KCNH2CYP3A4

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215058-B1 SUBSTITUTED N-PHENYL-BIPYRROLIDINE UREAS AND THERAPEUTIC USE THEREOF SANOFI SA (FR) 2011-11-23 EP claimed