SCHEMBL7307829

SCHEMBL7307829

CC(CCc1ccccc1)NC(=O)[C@H]1CCCN1C(=O)CCCCC(C#N)(c1ccccc1)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.47
CPA1 P15085 1/20 0.44
CPA2 P48052 1/20 0.44
CPA4 Q9UI42 1/20 0.44
EBP Q15125 2/20 0.42
SIGMAR1 Q99720 2/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
ACE P12821 9/20 0.40
ACE2 Q9BYF1 4/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7307838 1.00 F2 (0.47) F2CPA1CPA2CPA4EBP
SCHEMBL7301363 0.89 FKBP1A (0.47) F2EBPSIGMAR1MAPTKMT2A
SCHEMBL7301358 0.89 FKBP1A (0.47) F2EBPSIGMAR1MAPTKMT2A
SCHEMBL7305485 0.88 FKBP1A (0.53) F2
SCHEMBL7305475 0.88 FKBP1A (0.53) F2
SCHEMBL7309531 0.87 FKBP1A (0.51) F2EBPSIGMAR1
SCHEMBL7309517 0.87 FKBP1A (0.51) F2EBPSIGMAR1
SCHEMBL7309067 0.87 ACE (0.41) F2ACEACE2
SCHEMBL7308379 0.87 TACR1 (0.44) F2ACE
SCHEMBL7308390 0.87 TACR1 (0.44) F2ACE

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