Sugi Predict

Sugi Predict / Compounds / SCHEMBL7353835

SCHEMBL7353835

SCHEMBL7353835

CC(C)=CCN(c1ccc(CCc2ccc(Cl)cc2)cc1)C1CCN(CC(C)CC(N)C=O)C1

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 9/20 0.42
▸ CCR5 P51681 1/20 0.34
▸ KCNH2 Q12809 4/20 0.33
▸ MCHR1 Q99705 3/20 0.33
▸ HRH3 Q9Y5N1 1/20 0.32
▸ CHIT1 Q13231 2/20 0.32
▸ CHIA Q9BZP6 2/20 0.32

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
SCHEMBL7354492 0.96 CACNA1B (0.42) CACNA1BMCHR1
SCHEMBL7351806 0.95 CACNA1B (0.45) CACNA1BKCNH2HRH3CHIT1CHIA
SCHEMBL7353830 0.92 CACNA1B (0.50) CACNA1BKCNH2
SCHEMBL7360274 0.92 CACNA1B (0.42) CACNA1BCCR5KCNH2HRH3
SCHEMBL7355754 0.91 CACNA1B (0.54) CACNA1BCCR5HRH3
SCHEMBL7355858 0.89 CACNA1B (0.42) CACNA1B
SCHEMBL7360688 0.88 CACNA1B (0.43) CACNA1B
SCHEMBL7350736 0.87 CACNA1B (0.42) CACNA1B
SCHEMBL7356277 0.87 CACNA1B (0.51) CACNA1BHRH3
SCHEMBL7353642 0.87 CHIT1 (0.37) CACNA1BCCR5KCNH2MCHR1CHIT1

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