SCHEMBL7387256

SCHEMBL7387256

CC(C)CC(NC(=O)OC(C)(C)C)C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.51
ALDH1A1 P00352 1/20 0.50
LMNA P02545 1/20 0.50
KMT2A Q03164 3/20 0.49
HRH2 P25021 2/20 0.49
HRH1 P35367 2/20 0.49
MEN1 O00255 2/20 0.49
POLB P06746 1/20 0.45
PABPC1 P11940 1/20 0.44
CACNA2D1 P54289 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNB1 Q02641 1/20 0.43
CACNA1C Q13936 1/20 0.43
P2RX7 Q99572 1/20 0.42
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
MGLL Q99685 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
DPP4 P27487 1/20 0.41

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
SCHEMBL7387252 1.00 MAPK1 (0.51) MAPK1ALDH1A1LMNAKMT2AHRH2
SCHEMBL6981597 0.85 MAPK1 (0.52) MAPK1ALDH1A1LMNAKMT2AHRH2
SCHEMBL7390948 0.85 PABPC1 (0.61) MAPK1KMT2AHRH2HRH1PABPC1
SCHEMBL7390953 0.85 PABPC1 (0.61) MAPK1KMT2AHRH2HRH1PABPC1
SCHEMBL7384526 0.82 IGF1R (0.44) KMT2AMEN1POLB
SCHEMBL7384524 0.82 IGF1R (0.44) KMT2AMEN1POLB
SCHEMBL7390924 0.82 CACNA2D1 (0.49) CACNA2D1CACNA1BCACNB1CACNA1CMGLL
SCHEMBL7664035 0.82 CACNA2D1 (0.49) CACNA2D1CACNA1BCACNB1CACNA1CMGLL
Hydrochloric Acid SCHEMBL7653866 0.81 CACNA1B (0.48) CACNA2D1CACNA1BCACNB1CACNA1CMGLL
Hydrochloric Acid SCHEMBL7653878 0.81 CACNA1B (0.48) CACNA2D1CACNA1BCACNB1CACNA1CMGLL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO claimed
US-6458781-B1 BLOCKERS CALCIUM CHANNEL ANTAGONISTS FOR STROKES, BRAIN DISORDERS WARNER-LAMBERT COMPANY 2002-10-01 US disclosed
WO-1999055688-A1 SUBSTITUTED DIARYLALKYL AMIDES AS CALCIUM CHANNEL ANTAGONISTS WARNER-LAMBERT COMPANY (US) 1999-11-04 WO disclosed