SCHEMBL23675379

SCHEMBL23675379

CC(C)(C)OC(=O)N1CCN(CCNC(=O)c2cc(Cl)ccc2O)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ UTS2R Q9UKP6 2/20 0.56
▸ LMNA P02545 3/20 0.56
▸ ACKR3 P25106 2/20 0.56
▸ ACHE P22303 1/20 0.51
▸ BACE1 P56817 1/20 0.51
▸ TP53 P04637 2/20 0.49
▸ MAPT P10636 1/20 0.49
▸ CDK1 P06493 1/20 0.48
▸ DRD2 P14416 1/20 0.47
▸ HTT P42858 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ NPSR1 Q6W5P4 1/20 0.46

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
SCHEMBL30100421 1.00 UTS2R (0.56) UTS2RLMNAACKR3ACHEBACE1
SCHEMBL26099244 0.83 CDK1 (0.55) CDK1
SCHEMBL26099449 0.83 CDK1 (0.58) CDK1
SCHEMBL30100433 0.81 KDM4E (0.62) UTS2RLMNATP53MAPT
SCHEMBL23675376 0.81 KDM4E (0.62) UTS2RLMNATP53MAPT
SCHEMBL23675378 0.80 CNR1 (0.54) LMNAMAPTHTT
SCHEMBL30100442 0.80 CNR1 (0.54) LMNAMAPTHTT
SCHEMBL20945443 0.78 POLB (0.66) UTS2RLMNAACKR3TP53MAPT
SCHEMBL20945442 0.78 POLB (0.66) UTS2RLMNAACKR3TP53MAPT
SCHEMBL26097411 0.78 CYP2C19 (0.67) LMNAHTTSMN1; SMN2

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-2021151104-A1 SALICYLAMIDE DERIVATIVES AND RELATED METHODS OF MAKING THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-07-29 — — WO disclosed
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