SCHEMBL7354077

SCHEMBL7354077

CC(C)CCN(c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)CC(C)CC(N)=O)C1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 14/20 0.58
▸ ALOX5 P09917 1/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ CCR5 P51681 1/20 0.41

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
SCHEMBL7354272 0.96 CACNA1B (0.61) CACNA1BALOX5MEN1KMT2ALMNA
SCHEMBL7356203 0.95 CACNA1B (0.57) CACNA1BALOX5KMT2ALMNASMN1; SMN2
SCHEMBL7359677 0.91 CACNA1B (0.62) CACNA1BALOX5MEN1KMT2ALMNA
SCHEMBL7353923 0.89 CACNA1B (0.55) CACNA1BALOX5MEN1KMT2ALMNA
SCHEMBL7351020 0.87 CACNA1B (0.52) CACNA1B
SCHEMBL7349288 0.86 CACNA1B (0.51) CACNA1BMEN1KMT2ALMNASMN1; SMN2
SCHEMBL7424711 0.86 CACNA1B (0.62) CACNA1BALOX5MEN1KMT2ALMNA
SCHEMBL7351424 0.86 CACNA1B (0.59) CACNA1BALOX5LMNASMN1; SMN2
SCHEMBL7349212 0.86 CACNA1B (0.59) CACNA1BALOX5MEN1KMT2ALMNA
SCHEMBL7349326 0.85 CACNA1B (0.59) CACNA1BALOX5LMNASMN1; SMN2CCR5

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