SCHEMBL7337674

SCHEMBL7337674

CC(C)C[C@H](NC(=O)N1CCN(c2ccccc2)CC1)C(=O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.73
POLB P06746 4/20 0.66
MAPT P10636 3/20 0.66
GFER P55789 1/20 0.65
KDM4E B2RXH2 1/20 0.57
TDP1 Q9NUW8 2/20 0.52
CTSS P25774 2/20 0.52
CACNA1B Q00975 1/20 0.50
CTSK P43235 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CTSL P07711 1/20 0.49
GRM5 P41594 1/20 0.49
CYP3A4 P08684 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL7338159 1.00 GAA (0.73) GAAPOLBMAPTGFERKDM4E
SCHEMBL7340556 0.89 GAA (0.56) GAAPOLBMAPTGFERTDP1
SCHEMBL7340561 0.89 GAA (0.56) GAAPOLBMAPTGFERTDP1
SCHEMBL7037594 0.87 CACNA1B (0.60) GAAPOLBMAPTTDP1CTSS
SCHEMBL7342473 0.87 CACNA1B (0.60) GAAPOLBMAPTTDP1CTSS
SCHEMBL7037597 0.87 CACNA1B (0.60) GAAPOLBMAPTTDP1CTSS
SCHEMBL7339643 0.85 GAA (1.00) GAAPOLBMAPTGFERKDM4E
SCHEMBL7339654 0.85 GAA (1.00) GAAPOLBMAPTGFERKDM4E
SCHEMBL27349241 0.79 POLB (0.64) GAAPOLBMAPTGFERKDM4E
SCHEMBL11432342 0.78 CTSK (0.61) GAAMAPTCTSSCTSKMEN1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0598962-B1 Imidazole derivatives as calcium channel blockers NEUROSEARCH AS (DK) 1999-02-17 EP claimed
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US disclosed
US-6423689-B1 Peptidyl calcium channel blockers WARNER-LAMBERT COMPANY 2002-07-23 US disclosed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO disclosed