SCHEMBL7356607

SCHEMBL7356607

CC(CC(N)=O)CC(=O)N1CCC(N(c2ccc(OCc3ccccc3)cc2)C2CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 11/20 0.48
LMNA P02545 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
CCR5 P51681 1/20 0.42
ALOX5 P09917 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
OPRD1 P41143 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL7348378 0.88 CACNA1B (0.49) CACNA1BLMNASMN1; SMN2CCR5ALOX5
SCHEMBL7349161 0.88 CACNA1B (0.51) CACNA1BLMNASMN1; SMN2CCR5ALDH1A1
SCHEMBL7349212 0.86 CACNA1B (0.59) CACNA1BLMNASMN1; SMN2CCR5ALOX5
SCHEMBL7351424 0.86 CACNA1B (0.59) CACNA1BLMNASMN1; SMN2ALOX5OPRD1
SCHEMBL7353923 0.86 CACNA1B (0.55) CACNA1BLMNASMN1; SMN2CCR5ALOX5
SCHEMBL7359677 0.84 CACNA1B (0.62) CACNA1BLMNASMN1; SMN2CCR5ALOX5
SCHEMBL7354272 0.84 CACNA1B (0.61) CACNA1BLMNASMN1; SMN2CCR5ALOX5
SCHEMBL7349288 0.83 CACNA1B (0.51) CACNA1BLMNASMN1; SMN2KDM4EMEN1
SCHEMBL7359516 0.83 CACNA1B (0.70) CACNA1BLMNASMN1; SMN2ALOX5OPRD1
SCHEMBL7354077 0.82 CACNA1B (0.58) CACNA1BLMNASMN1; SMN2CCR5ALOX5

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