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Sugi Predict / Compounds / SCHEMBL25354555

SCHEMBL25354555

SCHEMBL25354555

CC(C(=O)O)C1[C@H]2CN(Cc3ccccc3)C[C@@H]12

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 5/20 0.50
▸ S1PR1 P21453 2/20 0.50
▸ HTR4 Q13639 1/20 0.50
▸ FUCA1 P04066 2/20 0.49
▸ FAAH O00519 2/20 0.44
▸ GRIN2B Q13224 1/20 0.44
▸ ALDH1A1 P00352 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL25354551 1.00 S1PR5 (0.50) S1PR5S1PR1HTR4FUCA1FAAH
SCHEMBL30518674 0.85 MAPK1 (0.46) S1PR5S1PR1HTR4FUCA1ALDH1A1
SCHEMBL4801690 0.83 FUCA1 (0.53) S1PR5S1PR1HTR4FUCA1GRIN2B
SCHEMBL4801694 0.83 FUCA1 (0.53) S1PR5S1PR1HTR4FUCA1GRIN2B
SCHEMBL4685702 0.83 FUCA1 (0.53) S1PR5S1PR1HTR4FUCA1GRIN2B
SCHEMBL24315717 0.82 FUCA1 (0.51) S1PR5S1PR1FUCA1
SCHEMBL4686680 0.80 FUCA1 (0.49) S1PR5S1PR1HTR4FUCA1
SCHEMBL4688630 0.80 FUCA1 (0.49) S1PR5S1PR1HTR4FUCA1
SCHEMBL4688633 0.80 FUCA1 (0.49) S1PR5S1PR1HTR4FUCA1
SCHEMBL4001394 0.78 S1PR5 (0.49) S1PR5S1PR1HTR4FUCA1FAAH

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-2023151473-A1 KHK INHIBITOR, PREPARATION METHOD THEREFOR AND USE THEREOF 上海研健新药研发有限公司 2023-08-17 — — WO disclosed