SCHEMBL9082227

SCHEMBL9082227

N[C@@H](CO)Cc1ccccc1C(=O)NN1CCN(c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CAPN1 P07384 1/20 0.43
CTSS P25774 1/20 0.43
POLB P06746 3/20 0.43
ITGA4 P13612 3/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 1/20 0.41
GFER P55789 1/20 0.40
DPP4 P27487 1/20 0.40
LMNA P02545 2/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
HTT P42858 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9081523 0.87 LMNA (0.49) CAPN1POLBALDH1A1DPP4LMNA
SCHEMBL9082498 0.86 SMN1; SMN2 (0.42) POLBALDH1A1MEN1TSHRKMT2A
SCHEMBL9081683 0.85 LMNA (0.51) POLBDPP4LMNAHTTGAA
Hydrochloric Acid SCHEMBL7783375 0.85 LMNA (0.48) POLBALDH1A1DPP4LMNAHTT
Hydrochloric Acid SCHEMBL8717316 0.85 SMN1; SMN2 (0.41) POLBALDH1A1MEN1TSHRKMT2A
Hydrochloric Acid SCHEMBL7782364 0.84 LMNA (0.50) POLBALDH1A1DPP4LMNAHTT
SCHEMBL7780914 0.78 CTSL (0.44) CAPN1CTSSPOLBGFERLMNA
SCHEMBL9081796 0.73 GAA (0.45) CAPN1ALDH1A1LMNAHTTGAA
Hydrochloric Acid SCHEMBL8720167 0.72 BCAT2 (0.57) POLBALDH1A1MEN1KMT2ALMNA
Hydrochloric Acid SCHEMBL8720439 0.72 GAA (0.44) CAPN1ALDH1A1LMNAHTTGAA

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-1996024577-A1 O-CARBAMOYL-(D)-PHENYLALANILOL COMPOUNDS AND PROCESS FOR PREPARING THE SAME YUKONG LIMITED (KR) 1996-08-15 WO disclosed