SCHEMBL7302727

SCHEMBL7302727

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 1/20 0.53
POLB P06746 1/20 0.49
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
CTSC P53634 1/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
GHSR Q92847 2/20 0.45
CPT2 P23786 1/20 0.45
CPT1A P50416 1/20 0.45
PKM P14618 1/20 0.45
HTT P42858 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HPGD P15428 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 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
SCHEMBL14304107 0.86 CCR1 (0.49) SCN4ARAB9AGHSRPKMHTT
SCHEMBL13436116 0.85 MEN1 (0.53) SCN4ACTSCKMT2AMEN1GHSR
Hydrochloric Acid SCHEMBL3980280 0.85 CCR1 (0.48) SCN4ARAB9AGHSRPKMHTT
Hydrochloric Acid SCHEMBL3980274 0.85 CCR1 (0.48) SCN4ARAB9AGHSRPKMHTT
SCHEMBL27394991 0.83 SCN4A (0.48) SCN4ACTSCKMT2AMEN1GHSR
SCHEMBL9288424 0.83 LMNA (0.51) SCN4APOLBCTSCKMT2AMEN1
SCHEMBL7309838 0.83 SCN4A (0.47) SCN4APOLBCTSCKMT2AMEN1
Hydrochloric Acid SCHEMBL11100316 0.83 SCN4A (0.48) SCN4ACTSCKMT2AMEN1HTR2C
SCHEMBL14002159 0.83 KMT2A (0.55) SCN4ACTSCKMT2AMEN1GHSR
SCHEMBL2092282 0.82 SCN4A (0.47) SCN4ACTSCKMT2AMEN1GHSR

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