SCHEMBL7314855

SCHEMBL7314855

CC[C@H](C)[C@H](N)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
LMNA P02545 2/20 0.46
TSHR P16473 1/20 0.46
PRCP P42785 2/20 0.46
DPP8 Q6V1X1 2/20 0.46
DPP9 Q86TI2 2/20 0.46
DPP7 Q9UHL4 2/20 0.46
DPP4 P27487 1/20 0.46
GPR88 Q9GZN0 4/20 0.45
NPSR1 Q6W5P4 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
GAA P10253 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CTRB1 P17538 2/20 0.43
POLB P06746 2/20 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
SCHEMBL7316186 1.00 MEN1 (0.56) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL8615988 1.00 MEN1 (0.56) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL7314845 1.00 MEN1 (0.56) MEN1KMT2ASMN1; SMN2LMNATSHR
Hydrochloric Acid SCHEMBL8614868 0.98 MEN1 (0.54) MEN1KMT2ASMN1; SMN2LMNATSHR
Hydrochloric Acid SCHEMBL8614876 0.98 MEN1 (0.54) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL8549172 0.88 MEN1 (0.67) MEN1KMT2ASMN1; SMN2PRCPKDM4E
SCHEMBL8549167 0.88 MEN1 (0.67) MEN1KMT2ASMN1; SMN2PRCPKDM4E
SCHEMBL8550314 0.88 MEN1 (0.67) MEN1KMT2ASMN1; SMN2PRCPKDM4E
SCHEMBL7318689 0.83 LMNA (0.51) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL7311069 0.83 LMNA (0.51) MEN1KMT2ASMN1; SMN2LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed