SCHEMBL7310455

SCHEMBL7310455

CSCC[C@H](N)C(=O)N(C)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.52
KMT2A Q03164 3/20 0.49
MEN1 O00255 2/20 0.49
RAB9A P51151 3/20 0.47
NPC1 O15118 2/20 0.47
CA12 O43570 1/20 0.47
CA9 Q16790 1/20 0.47
TDP1 Q9NUW8 1/20 0.45
MGLL Q99685 1/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CHRNA4 P43681 1/20 0.43
RIPK1 Q13546 1/20 0.42

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
SCHEMBL11095433 0.84 AOC3 (0.44)
SCHEMBL1337896 0.84 HPGD (0.56) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL8086800 0.82 TACR1 (0.41) KMT2AMEN1TDP1
SCHEMBL8304511 0.80 HPGD (0.59) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL900941 0.80 HPGD (0.69) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL27598559 0.79 HPGD (0.58) HPGDKMT2AMEN1RAB9ANPC1
Hydrochloric Acid SCHEMBL7452576 0.79 HPGD (0.67) HPGDKMT2AMEN1RAB9ANPC1
Hydrochloric Acid SCHEMBL6503199 0.79 HPGD (0.67) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL13995143 0.78 HPGD (0.60) HPGDKMT2AMEN1RAB9ANPC1
SCHEMBL10423904 0.77 AKT1 (0.41) KMT2AMEN1CHRNB2CHRNB4CHRNA3

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