SCHEMBL8294277

SCHEMBL8294277

CN(C(=O)[C@@H](N)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)C1CCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 1/20 0.55
▸ POLB P06746 2/20 0.50
▸ KMT2A Q03164 9/20 0.48
▸ MEN1 O00255 7/20 0.48
▸ ALDH1A1 P00352 7/20 0.48
▸ HPGD P15428 1/20 0.48
▸ F2 P00734 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ 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
SCHEMBL8296872 0.84 F2 (0.42) POLBKMT2AMEN1ALDH1A1F2
SCHEMBL8295499 0.84 ALDH1A1 (0.52) POLBALDH1A1F2SMN1; SMN2
SCHEMBL8295939 0.84 ALDH1A1 (0.52) POLBALDH1A1F2SMN1; SMN2
SCHEMBL8294259 0.82 ATM (0.45) KMT2AF2
SCHEMBL8296794 0.81 SMN1; SMN2 (0.47) KMT2AMEN1HPGDPKMSMN1; SMN2
SCHEMBL8295588 0.78 F2 (0.51) ALDH1A1HPGDF2
SCHEMBL8295534 0.78 F2 (0.51) POLBALDH1A1F2CYP2C9SMN1; SMN2
SCHEMBL12418071 0.78 F2 (0.55) POLBALDH1A1F2SMN1; SMN2
SCHEMBL8296749 0.78 ABCC1 (0.42) KMT2AMEN1ALDH1A1F2SMN1; SMN2
SCHEMBL8295886 0.78 DPP4 (0.52) ALDH1A1F2SMN1; 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-2005025554-A2 DIPEPTIDYL PEPTIDASE IV INHIBITOR JAPAN TOBACCO INC. (JP) 2005-03-24 — — WO disclosed
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