SCHEMBL7309517

SCHEMBL7309517

CC(C)C(C#N)(CCCCC(=O)N1CCC[C@@H]1C(=O)NCCCCc1ccccc1)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 11/20 0.51
F2 P00734 1/20 0.47
ITGB1 P05556 4/20 0.45
ITGA4 P13612 4/20 0.45
PRCP P42785 1/20 0.43
EBP Q15125 2/20 0.42
SIGMAR1 Q99720 2/20 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
SCHEMBL7309531 1.00 FKBP1A (0.51) FKBP1AF2ITGB1ITGA4PRCP
SCHEMBL7305485 0.98 FKBP1A (0.53) FKBP1AF2ITGB1ITGA4
SCHEMBL7305475 0.98 FKBP1A (0.53) FKBP1AF2ITGB1ITGA4
SCHEMBL7301358 0.95 FKBP1A (0.47) FKBP1AF2ITGB1ITGA4EBP
SCHEMBL7301363 0.95 FKBP1A (0.47) FKBP1AF2ITGB1ITGA4EBP
SCHEMBL7316569 0.91 PRCP (0.45) FKBP1AF2ITGB1ITGA4PRCP
SCHEMBL7306042 0.90 F2 (0.49) FKBP1AF2
SCHEMBL7306032 0.90 F2 (0.49) FKBP1AF2
SCHEMBL7308557 0.89 CHRM3 (0.44) FKBP1AF2ITGB1ITGA4
SCHEMBL7308546 0.89 CHRM3 (0.44) FKBP1AF2ITGB1ITGA4

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