SCHEMBL7314427

SCHEMBL7314427

CC(=O)NCC(CCCCC(=O)N1CCC[C@@H]1C(=O)NC(c1ccccc1)c1ccccc1)(c1ccccc1)C(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 7/20 0.46
CFD P00746 1/20 0.45
ELANE P08246 1/20 0.43
DPP8 Q6V1X1 1/20 0.42
DPP7 Q9UHL4 1/20 0.42
ACE P12821 2/20 0.41
XIAP P98170 4/20 0.41
BIRC3 Q13489 4/20 0.41
BIRC2 Q13490 4/20 0.41
F2 P00734 2/20 0.41
PRSS1 P07477 1/20 0.41
CHRM3 P20309 1/20 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
SCHEMBL7305140 0.88 TACR1 (0.44) TACR1CFDDPP8DPP7ACE
SCHEMBL7310736 0.88 TACR1 (0.47) TACR1CFDDPP8DPP7ACE
SCHEMBL7314908 0.83 TACR1 (0.49) TACR1CFDDPP8DPP7ACE
SCHEMBL8083547 0.82 TACR1 (0.44) TACR1CFDDPP8DPP7ACE
SCHEMBL7317377 0.82 TACR1 (0.44) TACR1CFDDPP8DPP7ACE
SCHEMBL7308379 0.82 TACR1 (0.44) TACR1CFDDPP8DPP7ACE
SCHEMBL7308390 0.82 TACR1 (0.44) TACR1CFDDPP8DPP7ACE
SCHEMBL7303978 0.82 TACR1 (0.44) TACR1CFDDPP8DPP7ACE
SCHEMBL7303981 0.82 TACR1 (0.44) TACR1CFDDPP8DPP7ACE
SCHEMBL7308853 0.80 TACR1 (0.46) TACR1CFDDPP8DPP7ACE

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