Sugi Predict

Sugi Predict / Compounds / SCHEMBL7780744

SCHEMBL7780744

SCHEMBL7780744

CC(C)=CC(NC1CCN(C(=O)C2CCCC(C)N2CCC(C)C)CC1)c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ CACNA1B Q00975 10/20 0.43
▸ ACACB O00763 1/20 0.40
▸ HRH3 Q9Y5N1 2/20 0.38
▸ TP53 P04637 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ LMNA P02545 1/20 0.37
▸ LTA4H P09960 1/20 0.37

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
SCHEMBL7391719 0.81 CACNA1B (0.63) CACNA1BHRH3
SCHEMBL6129124 0.77 CACNA1B (0.63) CACNA1BACACB
SCHEMBL7383390 0.75 CACNA1B (0.55) CACNA1BHRH3
SCHEMBL11932023 0.68 CACNA1B (0.60) CACNA1BHRH3KDM4ELTA4H
SCHEMBL7382223 0.68 CACNA1B (0.65) CACNA1BTP53SMN1; SMN2LMNA
SCHEMBL7383579 0.66 CACNA1B (0.64) CACNA1BKDM4EALDH1A1LMNA
SCHEMBL7389908 0.65 CACNA1B (0.65) CACNA1BHRH3KDM4E
SCHEMBL7390061 0.65 CACNA1B (0.65) CACNA1BTP53SMN1; SMN2
SCHEMBL7388620 0.65 CACNA1B (0.57) CACNA1BKDM4EALDH1A1LMNA
SCHEMBL7385527 0.65 CACNA1B (0.62) CACNA1BSMN1; SMN2KDM4EALDH1A1LMNA

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
US-6251919-B1 ADMINISTERING ANILINE DERIVATIVE FOR THERAPY OF PAIN WARNER-LAMBERT 2001-06-26 — — US disclosed