SCHEMBL25849676

SCHEMBL25849676

C=CC1=C(CC)CN(C(=O)C(C)(C)O)CC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 1/20 0.32
▸ NAMPT P43490 1/20 0.31
▸ FASN P49327 1/20 0.31

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
SCHEMBL25843661 0.87 PDK2 (0.44) —
SCHEMBL25848676 0.81 NAMPT (0.33) RIPK1NAMPTFASN
SCHEMBL25848587 0.76 RIPK1 (0.35) RIPK1NAMPTFASN
SCHEMBL25848914 0.73 NAMPT (0.30) NAMPT
SCHEMBL25850431 0.69 ALOX5AP (0.30) —
SCHEMBL25853377 0.69 RIPK1 (0.32) RIPK1NAMPTFASN
SCHEMBL25851654 0.68 PDK2 (0.46) —
SCHEMBL25848673 0.64 NAMPT (0.43) RIPK1NAMPTFASN
SCHEMBL22519660 0.62 — —
SCHEMBL25848798 0.61 NOTUM (0.42) —

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-2023131122-A1 FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 劲方医药科技(上海)有限公司 2023-07-13 — — WO disclosed
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