SCHEMBL7357264

SCHEMBL7357264

CC(C)CCN(c1ccc(CCC(C)(C)C)cc1)C1CCN(C(=O)CC(C)CC(N)=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.47
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
MAPK1 P28482 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HTR2A P28223 1/20 0.33

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
SCHEMBL7352294 0.89 CACNA1B (0.46) CACNA1BMEN1KMT2AKDM4EMAPT
SCHEMBL7351957 0.88 CACNA1B (0.51) CACNA1BMEN1KMT2A
SCHEMBL7352934 0.87 CACNA1B (0.61) CACNA1BMEN1KMT2A
SCHEMBL7351747 0.86 CACNA1B (0.44) CACNA1BMEN1KMT2AKDM4EMAPT
SCHEMBL7349295 0.86 CACNA1B (0.56) CACNA1BMEN1KMT2A
SCHEMBL7357575 0.85 CACNA1B (0.47) CACNA1BMEN1KMT2A
SCHEMBL7043358 0.81 CACNA1B (0.57) CACNA1B
SCHEMBL7037552 0.81 CACNA1B (0.57) CACNA1B
SCHEMBL7043102 0.81 CACNA1B (0.57) CACNA1B
SCHEMBL7356401 0.81 CACNA1B (0.62) CACNA1BMEN1KMT2AMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999007689-A1 ANILINE DERIVATIVES AS CALCIUM CHANNEL BLOCKERS WARNER-LAMBERT COMPANY (US) 1999-02-18 WO claimed