SCHEMBL7307216

SCHEMBL7307216

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

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.47
LMNA P02545 2/20 0.45
TSHR P16473 1/20 0.45
METAP2 P50579 4/20 0.44
METAP1 P53582 3/20 0.44
NPSR1 Q6W5P4 1/20 0.43
TLR2 O60603 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC8 Q9BY41 2/20 0.41
XIAP P98170 2/20 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
SCHEMBL7307442 0.84 CTSC (0.55) CTSCLMNATSHRNPSR1MEN1
SCHEMBL7307439 0.84 CTSC (0.55) CTSCLMNATSHRNPSR1MEN1
SCHEMBL7313784 0.79 POLB (0.55) LMNATSHRNPSR1XIAP
SCHEMBL7313780 0.79 POLB (0.55) LMNATSHRNPSR1XIAP
SCHEMBL7317027 0.78 LARS1 (0.56) LMNATSHRMEN1KMT2A
SCHEMBL7657880 0.78 LARS1 (0.56) LMNATSHRMEN1KMT2A
SCHEMBL7303552 0.78 CTSC (0.48) CTSCLMNATSHR
SCHEMBL12340094 0.76 CTSC (0.61) CTSCSMN1; SMN2XIAP
SCHEMBL8359814 0.76 CTSC (0.61) CTSCSMN1; SMN2XIAP
SCHEMBL7316402 0.75 CTRB1 (0.63) LMNATSHRMEN1KMT2ASMN1; SMN2

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