SCHEMBL7349970

SCHEMBL7349970

CC(C)CCN(c1ccc(NCC2CCCCC2)cc1)C1CCN(C(=O)CC(C)CC(N)=O)CC1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.63
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
PTPN1 P18031 1/20 0.35
CTSS P25774 3/20 0.34
CTSK P43235 2/20 0.34
EPHX2 P34913 1/20 0.34
CTSL P07711 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 0.85 CACNA1B (0.46) CACNA1BMEN1KMT2A
SCHEMBL7352934 0.84 CACNA1B (0.61) CACNA1BMEN1KMT2APTPN1CTSS
SCHEMBL7352079 0.84 CACNA1B (0.62) CACNA1BMEN1KMT2APTPN1
SCHEMBL7356401 0.84 CACNA1B (0.62) CACNA1BMEN1KMT2APTPN1
SCHEMBL7349295 0.83 CACNA1B (0.56) CACNA1BMEN1KMT2APTPN1EPHX2
SCHEMBL7043641 0.82 CACNA1B (0.75) CACNA1BKMT2A
SCHEMBL7043640 0.81 CACNA1B (0.61) CACNA1BMEN1KMT2A
SCHEMBL7358077 0.81 CACNA1B (0.64) CACNA1BMEN1KMT2A
SCHEMBL7351957 0.80 CACNA1B (0.51) CACNA1BMEN1KMT2A
SCHEMBL7357264 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 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