SCHEMBL7307442

SCHEMBL7307442

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

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSC P53634 4/20 0.55
XIAP P98170 9/20 0.53
LMNA P02545 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CTSH P09668 1/20 0.50
CYP2D6 P10635 1/20 0.50
CTSK P43235 1/20 0.50
TSHR P16473 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.48
POLB P06746 1/20 0.46

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
SCHEMBL7307439 1.00 CTSC (0.55) CTSCXIAPLMNAMEN1KMT2A
SCHEMBL9115406 0.85 KDM4E (0.55) CTSCLMNAMEN1KMT2ACYP1A2
SCHEMBL7313780 0.84 POLB (0.55) XIAPLMNATSHRNPSR1POLB
SCHEMBL7313784 0.84 POLB (0.55) XIAPLMNATSHRNPSR1POLB
SCHEMBL7307216 0.84 CTSC (0.47) CTSCXIAPLMNAMEN1KMT2A
SCHEMBL7317027 0.83 LARS1 (0.56) LMNAMEN1KMT2ATSHRPOLB
SCHEMBL7657880 0.83 LARS1 (0.56) LMNAMEN1KMT2ATSHRPOLB
SCHEMBL7314845 0.82 MEN1 (0.56) LMNAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL8615988 0.82 MEN1 (0.56) LMNAMEN1KMT2ATSHRSMN1; SMN2
SCHEMBL7314855 0.82 MEN1 (0.56) LMNAMEN1KMT2ATSHRSMN1; 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