SCHEMBL7307445

SCHEMBL7307445

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

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 3/20 0.40
DRD2 P14416 2/20 0.39
DRD3 P35462 2/20 0.39
FKBP1A P62942 10/20 0.39
EBP Q15125 2/20 0.38
SIGMAR1 Q99720 2/20 0.38
CHRM3 P20309 1/20 0.37
PRCP P42785 1/20 0.36

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
SCHEMBL7309077 1.00 CACNA1B (0.40) CACNA1BDRD2DRD3FKBP1AEBP
SCHEMBL7316567 0.81 FKBP1A (0.48) FKBP1ACHRM3
SCHEMBL7306123 0.81 CFD (0.47) CACNA1BFKBP1A
SCHEMBL7316569 0.79 PRCP (0.45) FKBP1ACHRM3PRCP
SCHEMBL7305475 0.78 FKBP1A (0.53) FKBP1A
SCHEMBL7305485 0.78 FKBP1A (0.53) FKBP1A
SCHEMBL7308557 0.77 CHRM3 (0.44) FKBP1ACHRM3
SCHEMBL7308546 0.77 CHRM3 (0.44) FKBP1ACHRM3
SCHEMBL7309531 0.77 FKBP1A (0.51) FKBP1AEBPSIGMAR1PRCP
SCHEMBL7309517 0.77 FKBP1A (0.51) FKBP1AEBPSIGMAR1PRCP

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