SCHEMBL9866408

SCHEMBL9866408

CC(COc1ccc2c(c1)-c1nn(-c3ccc(OC(C)CCN(C)C)cc3)c(=O)cc1CC2)CN(C)C

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.38
HRH3 Q9Y5N1 3/20 0.37

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
SCHEMBL10445204 0.90 HRH3 (0.42) MCHR1HRH3
SCHEMBL9867236 0.85 MCHR1 (0.44) MCHR1HRH3
SCHEMBL9866414 0.84 HRH3 (0.38) MCHR1HRH3
SCHEMBL9602706 0.84 HRH3 (0.38) HRH3
SCHEMBL9866266 0.82 MCHR1 (0.42) MCHR1HRH3
SCHEMBL9602742 0.82 HRH3 (0.45) MCHR1HRH3
SCHEMBL9866371 0.82 HRH3 (0.41) MCHR1HRH3
SCHEMBL9867683 0.81 ALDH1A1 (0.41) MCHR1HRH3
SCHEMBL9866270 0.81 MCHR1 (0.42) MCHR1HRH3
SCHEMBL9865646 0.81 MCHR1 (0.40) MCHR1HRH3

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
US-5045541-A Immunodeficiency disorders YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1991-09-03 US disclosed