SCHEMBL10448592

SCHEMBL10448592

CCC(C)[C@H](NCCn1ccnc1)C(N)=O

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 2/20 0.43
TBXAS1 P24557 3/20 0.42
EGLN3 Q9H6Z9 1/20 0.41
QPCT Q16769 2/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
POLB P06746 1/20 0.39
SMYD3 Q9H7B4 1/20 0.39

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
SCHEMBL10448593 0.76 QPCT (0.43) TBXAS1EGLN3QPCTALDH1A1LMNA
SCHEMBL3706925 0.76 QPCT (0.43) TBXAS1EGLN3QPCTALDH1A1LMNA
SCHEMBL19091362 0.75 TBXAS1 (0.47) TBXAS1EGLN3QPCTALDH1A1
SCHEMBL7609694 0.74 QPCT (0.50) TBXAS1EGLN3QPCTALDH1A1L3MBTL1
SCHEMBL20987982 0.74 TBXAS1 (0.49) TBXAS1EGLN3QPCTALDH1A1LMNA
SCHEMBL10447987 0.73 CTSS (0.48) AGTR2QPCTALDH1A1LMNASMN1; SMN2
SCHEMBL278416 0.73 QPCT (0.53) TBXAS1EGLN3QPCTALDH1A1
SCHEMBL14271650 0.72 ALDH1A1 (0.50) TBXAS1EGLN3QPCTALDH1A1LMNA
SCHEMBL5766577 0.71 QPCT (0.48) TBXAS1EGLN3QPCTALDH1A1L3MBTL1
SCHEMBL27787847 0.71 TBXAS1 (0.57) TBXAS1EGLN3ALDH1A1

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
EP-0386611-A2 Amino acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1990-09-12 EP disclosed