SCHEMBL7355814

SCHEMBL7355814

CC(C)=CCN(c1ccc(OCc2ccccc2)cc1)C1CCCN(CC(C)CC(N)C=O)C1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 15/20 0.60
▸ CCR5 P51681 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ KMT2A Q03164 1/20 0.38

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
SCHEMBL7356277 0.92 CACNA1B (0.51) CACNA1BHRH3
SCHEMBL7348102 0.91 CACNA1B (0.68) CACNA1BCCR5
SCHEMBL7355754 0.88 CACNA1B (0.54) CACNA1BCCR5HRH3
SCHEMBL7352406 0.87 CACNA1B (0.45) CACNA1BHRH3MEN1KMT2A
SCHEMBL7353830 0.86 CACNA1B (0.50) CACNA1B
SCHEMBL7353813 0.84 CACNA1B (0.46) CACNA1B
SCHEMBL7037553 0.84 CACNA1B (0.64) CACNA1BL3MBTL1HRH3
SCHEMBL7043696 0.84 CACNA1B (0.69) CACNA1BCCR5
SCHEMBL7043697 0.84 CACNA1B (0.69) CACNA1BCCR5
SCHEMBL7354424 0.83 CACNA1B (0.57) CACNA1BHRH3

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
Send feedback