SCHEMBL7317745

SCHEMBL7317745

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(Cc2cccc(Br)c2)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.37
SIGMAR1 Q99720 2/20 0.37
CHRM3 P20309 2/20 0.32
CHRM2 P08172 1/20 0.32
CACNA1B Q00975 1/20 0.32
PTGES O14684 1/20 0.31
CTSB P07858 1/20 0.30
CTSS P25774 1/20 0.30
CTSK P43235 1/20 0.30

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
SCHEMBL7306036 0.92 EBP (0.41) EBPSIGMAR1CHRM3CACNA1B
SCHEMBL7305376 0.92 EBP (0.37) EBPSIGMAR1CHRM3CACNA1B
SCHEMBL7316806 0.92 EBP (0.37) EBPSIGMAR1CHRM3CHRM2CACNA1B
SCHEMBL7310708 0.91 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7317234 0.91 EBP (0.37) EBPSIGMAR1CHRM3CHRM2CACNA1B
SCHEMBL7316004 0.91 EPHX1 (0.37) EBPSIGMAR1PTGES
SCHEMBL7310134 0.91 EBP (0.37) EBPSIGMAR1CHRM3CHRM2CACNA1B
SCHEMBL7313731 0.89 CACNA1B (0.38) EBPSIGMAR1CHRM3CHRM2CACNA1B
SCHEMBL7308644 0.88 EBP (0.35) EBPSIGMAR1CACNA1B
SCHEMBL7311941 0.88 EBP (0.36) EBPSIGMAR1CACNA1B

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