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SCHEMBL19686911

SCHEMBL19686911

Cc1cc(C)n(-c2cc(N3CC(C(N)=O)OCC3Cc3cc(C)n(-c4nc(NC5CCC(F)(F)CC5)cc(N5CCO[C@H](CO)C5)n4)n3)nc(NC3CCC(F)(F)CC3)n2)n1

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 20/20 0.38
▸ ADORA1 P30542 19/20 0.38
▸ CYP1A2 P05177 1/20 0.34
▸ ADORA3 P0DMS8 1/20 0.34
▸ ADORA2B P29275 1/20 0.34

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
SCHEMBL19686525 0.83 ADORA2A (0.47) ADORA2AADORA1CYP1A2ADORA3ADORA2B
SCHEMBL19686526 0.83 ADORA2A (0.47) ADORA2AADORA1CYP1A2ADORA3ADORA2B
SCHEMBL19686909 0.83 ADORA2A (0.47) ADORA2AADORA1CYP1A2ADORA3ADORA2B
SCHEMBL31127310 0.83 ADORA2A (0.47) ADORA2AADORA1CYP1A2ADORA3ADORA2B
SCHEMBL19686902 0.81 ADORA2A (0.50) ADORA2AADORA1CYP1A2ADORA3ADORA2B
SCHEMBL19686910 0.79 LRRK2 (0.38) ADORA2AADORA1
SCHEMBL19687421 0.74 ADORA2A (0.46) ADORA2AADORA1CYP1A2ADORA3ADORA2B
SCHEMBL19687077 0.73 KCNN2 (0.47) ADORA2AADORA1CYP1A2ADORA3ADORA2B
SCHEMBL19687424 0.73 ADORA2A (0.47) ADORA2AADORA1CYP1A2ADORA3ADORA2B
SCHEMBL19687068 0.73 KCNN2 (0.42) ADORA2AADORA1CYP1A2ADORA3ADORA2B

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
WO-2017139697-A9 BACTERIA ENGINEERED TO TREAT DISEASES ASSOCIATED WITH HYPERAMMONEMIA SYNLOGIC, INC. (US) 2017-12-07 — — WO disclosed