SCHEMBL7316181

SCHEMBL7316181

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

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.52
KMT2A Q03164 3/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 2/20 0.46
ANPEP P15144 1/20 0.41
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
POLB P06746 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 1/20 0.39
ALOX5 P09917 1/20 0.39
EPHX1 P07099 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
SCHEMBL27488761 1.00 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNAANPEP
SCHEMBL7314848 1.00 MEN1 (0.52) MEN1KMT2ASMN1; SMN2LMNAANPEP
Hydrochloric Acid SCHEMBL8614874 0.98 MEN1 (0.51) MEN1KMT2ASMN1; SMN2LMNAANPEP
SCHEMBL4594817 0.88 MEN1 (0.50) MEN1KMT2ASMN1; SMN2ANPEPPOLB
SCHEMBL7311075 0.83 LMNA (0.47) KMT2ASMN1; SMN2LMNATRPM8TSHR
SCHEMBL7318693 0.83 LMNA (0.47) KMT2ASMN1; SMN2LMNATRPM8TSHR
SCHEMBL10448120 0.78 CYP2C9 (0.44) MEN1KMT2ASMN1; SMN2LMNAANPEP
SCHEMBL7316408 0.76 LMNA (0.50) KMT2ALMNATRPM8TSHRALDH1A1
SCHEMBL7284516 0.75 ANPEP (0.53) MEN1KMT2AANPEPPOLBALDH1A1
SCHEMBL4179270 0.75 CA2 (0.57) KMT2ASMN1; SMN2CTSLALDH1A1

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 2 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-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed