SCHEMBL6557630

SCHEMBL6557630

CC(C)(C)N(C(=O)O)C1CCN(c2ccc3cc(NC(=O)/C=C/c4ccc(Cl)cc4)ccc3n2)C1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 17/20 0.53
KCNH2 Q12809 2/20 0.49
MAPT P10636 3/20 0.47

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
SCHEMBL5873730 0.83 MCHR1 (0.55) MCHR1KCNH2MAPT
SCHEMBL5873725 0.83 MCHR1 (0.55) MCHR1KCNH2MAPT
SCHEMBL5873497 0.81 MCHR1 (0.52) MCHR1KCNH2MAPT
SCHEMBL5873503 0.81 MCHR1 (0.52) MCHR1KCNH2MAPT
Hydrochloric Acid SCHEMBL5873477 0.78 MAPT (0.62) MCHR1MAPT
Hydrochloric Acid SCHEMBL5873480 0.78 MAPT (0.62) MCHR1MAPT
SCHEMBL5873489 0.77 MCHR1 (0.52) MCHR1KCNH2MAPT
SCHEMBL5873494 0.77 MCHR1 (0.52) MCHR1KCNH2MAPT
SCHEMBL22499908 0.76 PDE10A (0.46) MCHR1
SCHEMBL22499905 0.76 PDE10A (0.46) MCHR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450801-A2 2-AMINOQUINOLINE COMPOUNDS Merck & Co., Inc. (US) 2004-09-01 EP claimed
WO-2003045313-A2 2-AMINOQUINOLINE COMPOUNDS MERCK & CO. INC. (US) 2003-06-05 WO claimed