SCHEMBL7787549

SCHEMBL7787549

CC(C)=CCN(c1ccccc1OCc1ccccc1)C1CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 8/20 0.51
MEN1 O00255 3/20 0.45
KMT2A Q03164 3/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
YAP1 P46937 2/20 0.44
STS P08842 1/20 0.44
GPR119 Q8TDV5 2/20 0.43
TLR9 Q9NR96 1/20 0.42
TLR7 Q9NYK1 1/20 0.42

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
SCHEMBL7040340 0.85 CACNA1B (0.69) CACNA1BMEN1KMT2AYAP1
SCHEMBL7381620 0.83 CACNA1B (0.57) CACNA1BMEN1KMT2AJAK2JAK1
SCHEMBL7037543 0.81 CACNA1B (0.60) CACNA1BMEN1KMT2AJAK2JAK1
SCHEMBL28760866 0.80 CACNA1B (0.53) CACNA1BJAK2JAK1YAP1STS
SCHEMBL7038257 0.78 CACNA1B (0.51) CACNA1BMEN1KMT2AJAK2JAK1
SCHEMBL2195527 0.76 PDE4A (0.53) YAP1STSGPR119
SCHEMBL9014040 0.76 KDM1A (0.48) CACNA1BMEN1KMT2ASTSGPR119
SCHEMBL23249889 0.75 SMN1; SMN2 (0.58) MEN1KMT2AJAK2JAK1STS
SCHEMBL19970722 0.75 GPR119 (0.53) JAK2JAK1YAP1STSGPR119
SCHEMBL7036969 0.74 MEN1 (0.46) CACNA1BMEN1KMT2AGPR119

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-6251918-B1 FOR THERAPY OF STROKE, CEREBRAL ISCHEMIA, HEAD TRAUMA, OR EPILEPSY WARNER-LAMBERT COMPANY 2001-06-26 US disclosed