SCHEMBL1730494

SCHEMBL1730494

Cc1cc(N2CCC(N3CCCC3C)C2)ccc1NC(=O)ON1CCN(C)CC1

nearest known ligand 0.75

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 20/20 0.75
KCNH2 Q12809 6/20 0.64
CYP3A4 P08684 1/20 0.63

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
SCHEMBL1728186 0.90 HRH3 (0.62) HRH3KCNH2CYP3A4
SCHEMBL1730278 0.90 HRH3 (0.73) HRH3KCNH2CYP3A4
SCHEMBL1727985 0.90 HRH3 (0.73) HRH3KCNH2CYP3A4
SCHEMBL1730277 0.89 HRH3 (0.66) HRH3KCNH2CYP3A4
SCHEMBL1729671 0.86 HRH3 (1.00) HRH3KCNH2CYP3A4
SCHEMBL1729463 0.86 HRH3 (0.73) HRH3KCNH2CYP3A4
Cyclopropane SCHEMBL2427283 0.83 HRH3 (0.78) HRH3KCNH2CYP3A4
SCHEMBL2428316 0.82 HRH3 (0.63) HRH3KCNH2CYP3A4
SCHEMBL2431103 0.82 HRH3 (0.73) HRH3KCNH2CYP3A4
SCHEMBL221547 0.82 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