SCHEMBL7310024

SCHEMBL7310024

C=CCCCCC(CN1C(=O)CCC1=O)(c1ccccc1)C(C)C

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
FAAH O00519 5/20 0.33
CHRM3 P20309 3/20 0.32
CHRM2 P08172 2/20 0.32
CHRM1 P11229 2/20 0.32
LMNA P02545 1/20 0.31
MGLL Q99685 3/20 0.31

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
SCHEMBL7313549 0.82 PTGER4 (0.39) KMT2A
SCHEMBL7309814 0.81 ALDH1A1 (0.38) KMT2ACHRM3CHRM2CHRM1LMNA
SCHEMBL7309620 0.77 TAAR1 (0.36) FAAHCHRM3CHRM2CHRM1LMNA
SCHEMBL7314258 0.75 CHRM2 (0.37) POLBKMT2ACHRM3CHRM2CHRM1
SCHEMBL7317206 0.70 ALDH1A1 (0.41) KMT2ACHRM3CHRM2CHRM1LMNA
SCHEMBL7306684 0.70 BACE1 (0.31) CHRM3CHRM2CHRM1
SCHEMBL7316634 0.68 ALDH1A1 (0.39) KMT2ACHRM3CHRM2CHRM1
SCHEMBL7317285 0.68 CHRM3 (0.33) FAAHCHRM3CHRM2CHRM1LMNA
SCHEMBL7307228 0.66 EBP (0.55) KMT2ACHRM3CHRM2CHRM1LMNA
SCHEMBL7308779 0.65 ALDH1A1 (0.32)

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