SCHEMBL7309838

SCHEMBL7309838

NN(Cc1ccccc1)C(=O)[C@H]1CCCN1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.47
CTSC P53634 1/20 0.46
HTR2C P28335 2/20 0.44
HTR2B P41595 2/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
GHSR Q92847 6/20 0.42
LMNA P02545 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ELANE P08246 1/20 0.40
ALDH1A1 P00352 1/20 0.39
POLB P06746 1/20 0.39
TAAR1 Q96RJ0 1/20 0.38

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
SCHEMBL13436116 0.85 MEN1 (0.53) SCN4ACTSCHTR2CHTR2BMEN1
SCHEMBL7302727 0.83 SCN4A (0.53) SCN4ACTSCHTR2CHTR2BMEN1
SCHEMBL9288424 0.81 LMNA (0.51) SCN4ACTSCMEN1KMT2AGHSR
SCHEMBL27394991 0.81 SCN4A (0.48) SCN4ACTSCHTR2CHTR2BMEN1
SCHEMBL2092281 0.80 SCN4A (0.47) SCN4ACTSCHTR2CHTR2BMEN1
SCHEMBL7556633 0.80 SCN4A (0.44) SCN4ACTSCHTR2CHTR2BMEN1
SCHEMBL2092282 0.80 SCN4A (0.47) SCN4ACTSCHTR2CHTR2BMEN1
SCHEMBL13964105 0.79 CTSC (0.51) SCN4ACTSCHTR2CHTR2BMEN1
SCHEMBL9279932 0.79 MEN1 (0.52) SCN4ACTSCMEN1KMT2AGHSR
SCHEMBL6970522 0.78 POLB (0.43) SCN4ACTSCHTR2CHTR2BALDH1A1

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