SCHEMBL7358077

SCHEMBL7358077

CC(C)CCN(c1ccc(NCc2ccccn2)cc1)C1CCN(C(=O)CC(C)CC(N)=O)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.64
MAOA P21397 2/20 0.40
MAOB P27338 2/20 0.40
JAK2 O60674 1/20 0.36
JAK1 P23458 1/20 0.36
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
LMNA P02545 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
SCHEMBL7359584 0.91 CACNA1B (0.65) CACNA1BMAOAMAOBJAK2JAK1
SCHEMBL7421288 0.86 CACNA1B (0.49) CACNA1BMAOB
SCHEMBL7037028 0.84 CACNA1B (0.74) CACNA1BMAOAMAOBKMT2A
SCHEMBL7356401 0.84 CACNA1B (0.62) CACNA1BJAK2JAK1NPC1ALDH1A1
SCHEMBL7352079 0.84 CACNA1B (0.62) CACNA1BJAK2JAK1MEN1KMT2A
SCHEMBL7037026 0.83 CACNA1B (0.62) CACNA1BMAOAMAOBKDM4ENPC1
SCHEMBL7349970 0.81 CACNA1B (0.63) CACNA1BMEN1KMT2A
SCHEMBL7352934 0.81 CACNA1B (0.61) CACNA1BJAK2JAK1MEN1KMT2A
SCHEMBL7349295 0.80 CACNA1B (0.56) CACNA1BJAK2JAK1MEN1KMT2A
SCHEMBL7357575 0.80 CACNA1B (0.47) 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 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 disclosed