SCHEMBL10469586

SCHEMBL10469586

O=C(O)[C@@H]1C[C@H](c2ccccc2)[C@H](c2ccccc2)N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
CYP2D6 P10635 5/20 0.45
CYP2C19 P33261 5/20 0.45
LMNA P02545 3/20 0.45
CYP1A2 P05177 3/20 0.45
BLM P54132 2/20 0.45
TSHR P16473 2/20 0.45
ALOX15 P16050 1/20 0.45
RAB9A P51151 1/20 0.45
THRB P10828 1/20 0.45
PMP22 Q01453 1/20 0.45
MAPT P10636 2/20 0.42
HDAC4 P56524 1/20 0.42
GAA P10253 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HPGD P15428 1/20 0.41

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
SCHEMBL2804427 0.82 CYP2D6 (0.45) MEN1KMT2ACYP2D6CYP2C19LMNA
SCHEMBL20835887 0.81 CYP2C19 (0.50) MEN1KMT2ACYP2D6CYP2C19LMNA
SCHEMBL9337742 0.79 MAPT (0.51) MEN1KMT2ACYP2D6CYP2C19CYP1A2
SCHEMBL8668280 0.78 CYP2C19 (0.42) MEN1KMT2ACYP2D6CYP2C19LMNA
SCHEMBL8666859 0.77 CYP2D6 (0.39) MEN1KMT2ACYP2D6CYP2C19LMNA
SCHEMBL8954371 0.77 CYP2D6 (0.39) MEN1KMT2ACYP2D6CYP2C19LMNA
SCHEMBL8670246 0.76 CYP2C19 (0.41) MEN1KMT2ACYP2D6CYP2C19LMNA
SCHEMBL7433127 0.74 POLB (0.45) MEN1KMT2ACYP2D6CYP2C19LMNA
SCHEMBL7433122 0.74 POLB (0.45) MEN1KMT2ACYP2D6CYP2C19LMNA
SCHEMBL8669917 0.74 MMP3 (0.39) MEN1KMT2ACYP2D6CYP2C19LMNA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4977260-A Intermediates for preparing mono-, bi- and tricyclic amino acids HOECHST AKTIENGESELLSCHAFT (DE) 1990-12-11 US disclosed
US-4849524-A Process of preparing proline derivatives HOECHST AKTIENGESELLSCHAFT (DE) 1989-07-18 US disclosed
US-4691022-A Process for the preparation of monocyclic, bicyclic and tricyclic aminoacids HOECHST AKTIENGESELLSCHAFT (DE) 1987-09-01 US disclosed
EP-0132580-A1 Process for the preparation of mono, bi and tricyclic aminoacids HOECHST AKTIENGESELLSCHAFT (DE) 1985-02-13 EP disclosed