SCHEMBL19672003

SCHEMBL19672003

CCC1CCN(c2cc(-c3nn(C(c4ccccc4)(c4ccccc4)c4ccccc4)c4ccc(OC(C)C)cc34)ccn2)CC1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 19/20 0.47
FFAR1 O14842 1/20 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
SCHEMBL17430355 0.90 LRRK2 (0.49) LRRK2
SCHEMBL16025655 0.89 LRRK2 (0.50) LRRK2
SCHEMBL17430380 0.88 LRRK2 (0.61) LRRK2
SCHEMBL16025886 0.87 LRRK2 (0.61) LRRK2
SCHEMBL17430357 0.86 CKS1B (0.42) LRRK2
SCHEMBL17430370 0.85 LRRK2 (0.53) LRRK2
SCHEMBL16025701 0.85 LRRK2 (0.48) LRRK2
SCHEMBL16025959 0.84 LRRK2 (0.63) LRRK2
SCHEMBL16025582 0.84 LRRK2 (0.49) LRRK2
SCHEMBL16025597 0.83 LRRK2 (0.47) LRRK2

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-2964221-B1 COMPOUNDS INHIBITING LEUCINE-RICH REPEAT KINASE ENZYME ACTIVITY MERCK SHARP & DOHME (US) 2017-12-06 EP disclosed