SCHEMBL7349295

SCHEMBL7349295

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

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.56
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
EPHX2 P34913 1/20 0.35
OPRD1 P41143 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
PTPN1 P18031 1/20 0.34

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
SCHEMBL7357575 0.87 CACNA1B (0.47) CACNA1BMEN1KMT2AOPRD1TDP1
SCHEMBL7358097 0.86 CACNA1B (0.44) CACNA1BMEN1KMT2AOPRD1TDP1
SCHEMBL7353204 0.86 CACNA1B (0.48) CACNA1BMEN1KMT2AOPRD1
SCHEMBL7357264 0.86 CACNA1B (0.47) CACNA1BMEN1KMT2A
SCHEMBL7352294 0.84 CACNA1B (0.46) CACNA1BMEN1KMT2A
SCHEMBL7351957 0.84 CACNA1B (0.51) CACNA1BMEN1KMT2A
SCHEMBL7352934 0.83 CACNA1B (0.61) CACNA1BMEN1KMT2AJAK2JAK1
SCHEMBL7349970 0.83 CACNA1B (0.63) CACNA1BMEN1KMT2AEPHX2PTPN1
SCHEMBL7354272 0.83 CACNA1B (0.61) CACNA1BMEN1KMT2A
SCHEMBL7356401 0.83 CACNA1B (0.62) CACNA1BMEN1KMT2AJAK2JAK1

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