SCHEMBL7359677

SCHEMBL7359677

CC(O)CCN(c1ccc(OCc2ccccc2)cc1)C1CCN(C(=O)CC(C)CC(N)=O)CC1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 12/20 0.62
LMNA P02545 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
CCR5 P51681 1/20 0.43
ALOX5 P09917 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
YAP1 P46937 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 0.95 CACNA1B (0.61) CACNA1BLMNASMN1; SMN2CCR5ALOX5
SCHEMBL7349288 0.91 CACNA1B (0.51) CACNA1BLMNASMN1; SMN2MEN1KMT2A
SCHEMBL7354077 0.91 CACNA1B (0.58) CACNA1BLMNASMN1; SMN2CCR5ALOX5
SCHEMBL7349212 0.90 CACNA1B (0.59) CACNA1BLMNASMN1; SMN2CCR5ALOX5
SCHEMBL7351424 0.90 CACNA1B (0.59) CACNA1BLMNASMN1; SMN2ALOX5
SCHEMBL7353923 0.90 CACNA1B (0.55) CACNA1BLMNASMN1; SMN2CCR5ALOX5
SCHEMBL7348378 0.87 CACNA1B (0.49) CACNA1BLMNASMN1; SMN2CCR5ALOX5
SCHEMBL7351020 0.86 CACNA1B (0.52) CACNA1B
SCHEMBL7349161 0.86 CACNA1B (0.51) CACNA1BLMNASMN1; SMN2CCR5YAP1
SCHEMBL7359516 0.86 CACNA1B (0.70) CACNA1BLMNASMN1; SMN2ALOX5

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 claimed