SCHEMBL28610255

SCHEMBL28610255

Cc1cc2cnn(C3CCCCO3)c2cc1[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1F

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LRRK2 Q5S007 4/20 0.40
▸ GPR119 Q8TDV5 7/20 0.39
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39
▸ CCNK O75909 1/20 0.37
▸ CDK12 Q9NYV4 1/20 0.37
▸ KRAS P01116 1/20 0.36
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ PDE4B Q07343 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ TP53 P04637 1/20 0.35

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
SCHEMBL18398983 1.00 LRRK2 (0.40) LRRK2GPR119RXRARXRBRXRG
SCHEMBL20437352 1.00 LRRK2 (0.40) LRRK2GPR119RXRARXRBRXRG
SCHEMBL18399060 0.94 RXRA (0.40) LRRK2GPR119RXRARXRBRXRG
SCHEMBL22873493 0.94 RXRA (0.40) LRRK2GPR119RXRARXRBRXRG
SCHEMBL28606491 0.94 RXRA (0.40) LRRK2GPR119RXRARXRBRXRG
SCHEMBL18399199 0.93 GPR119 (0.40) GPR119RXRARXRBRXRGCCNK
SCHEMBL28610193 0.93 GPR119 (0.40) GPR119RXRARXRBRXRGCCNK
SCHEMBL22873547 0.93 GPR119 (0.40) GPR119RXRARXRBRXRGCCNK
SCHEMBL31084394 0.91 GPR119 (0.39) LRRK2GPR119RXRARXRBRXRG
SCHEMBL20437475 0.91 GPR119 (0.40) GPR119RXRARXRBRXRGCCNK

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
CN-108137510-B Compound (I) 葛兰素史密斯克莱知识产权发展有限公司 2021-07-20 — — CN disclosed
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