SCHEMBL7308546

SCHEMBL7308546

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

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 9/20 0.44
CHRM2 P08172 5/20 0.43
CHRM4 P08173 4/20 0.43
CHRM1 P11229 4/20 0.43
CHRM5 P08912 3/20 0.43
ITGB1 P05556 5/20 0.43
ITGA4 P13612 5/20 0.43
F2 P00734 2/20 0.43
PRSS1 P07477 1/20 0.43
FKBP1A P62942 3/20 0.42
DPP4 P27487 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
SCHEMBL7308557 1.00 CHRM3 (0.44) CHRM3CHRM2CHRM4CHRM1CHRM5
SCHEMBL7316569 0.92 PRCP (0.45) CHRM3CHRM2CHRM4CHRM1CHRM5
SCHEMBL7301363 0.91 FKBP1A (0.47) CHRM3ITGB1ITGA4F2FKBP1A
SCHEMBL7301358 0.91 FKBP1A (0.47) CHRM3ITGB1ITGA4F2FKBP1A
SCHEMBL7305475 0.90 FKBP1A (0.53) ITGB1ITGA4F2FKBP1ADPP4
SCHEMBL7305485 0.90 FKBP1A (0.53) ITGB1ITGA4F2FKBP1ADPP4
SCHEMBL7309531 0.89 FKBP1A (0.51) ITGB1ITGA4F2FKBP1A
SCHEMBL7309517 0.89 FKBP1A (0.51) ITGB1ITGA4F2FKBP1A
SCHEMBL7306032 0.89 F2 (0.49) CHRM3F2PRSS1FKBP1A
SCHEMBL7316567 0.89 FKBP1A (0.48) CHRM3CHRM2CHRM4CHRM1FKBP1A

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