SCHEMBL7356401

SCHEMBL7356401

CC(C)CCN(c1ccc(NCc2ccc(N(C)C)cc2)cc1)C1CCN(C(=O)CC(C)CC(N)=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.62
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
RAB9A P51151 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
HTR2A P28223 1/20 0.36
PTPN1 P18031 1/20 0.35

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
SCHEMBL7352079 0.93 CACNA1B (0.62) CACNA1BMEN1KMT2ACA1CA2
SCHEMBL7352934 0.84 CACNA1B (0.61) CACNA1BMEN1KMT2AJAK2JAK1
SCHEMBL7349970 0.84 CACNA1B (0.63) CACNA1BMEN1KMT2APTPN1
SCHEMBL7358077 0.84 CACNA1B (0.64) CACNA1BMEN1KMT2ANPC1ALDH1A1
SCHEMBL7040846 0.83 CACNA1B (0.73) CACNA1BMEN1KMT2ANPC1ALDH1A1
SCHEMBL7349295 0.83 CACNA1B (0.56) CACNA1BMEN1KMT2AJAK2JAK1
SCHEMBL7357575 0.82 CACNA1B (0.47) CACNA1BMEN1KMT2A
SCHEMBL7040844 0.82 CACNA1B (0.60) CACNA1BMEN1KMT2ACA1CA2
SCHEMBL7357264 0.81 CACNA1B (0.47) CACNA1BMEN1KMT2AMAPTL3MBTL1
SCHEMBL7351957 0.79 CACNA1B (0.51) CACNA1BMEN1KMT2A

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