SCHEMBL12340342

SCHEMBL12340342

C[C@@H]1CCN(CCn2ncc3cc(-n4ccc(OCc5ccccc5)cc4=O)ccc32)C1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 20/20 0.82
KCNH2 Q12809 13/20 0.82
CYP3A4 P08684 3/20 0.82

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
SCHEMBL12340359 0.95 MCHR1 (0.82) MCHR1KCNH2CYP3A4
SCHEMBL2961544 0.91 MCHR1 (0.83) MCHR1KCNH2CYP3A4
SCHEMBL2955877 0.91 MCHR1 (0.83) MCHR1KCNH2CYP3A4
SCHEMBL2955875 0.91 MCHR1 (0.83) MCHR1KCNH2CYP3A4
SCHEMBL12340085 0.90 MCHR1 (1.00) MCHR1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL2961561 0.90 MCHR1 (0.82) MCHR1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL2955787 0.90 MCHR1 (0.82) MCHR1KCNH2CYP3A4
Hydrochloric Acid SCHEMBL2955786 0.90 MCHR1 (0.82) MCHR1KCNH2CYP3A4
SCHEMBL2958131 0.90 MCHR1 (1.00) MCHR1KCNH2CYP3A4
SCHEMBL2958126 0.90 MCHR1 (1.00) MCHR1KCNH2CYP3A4

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-8268868-B2 5-pyridinone substituted indazoles ALBANY MOLECULAR RESEARCH, INC. (US) 2012-09-18 US disclosed