SCHEMBL6990481

SCHEMBL6990481

O=C1CCc2c[c]cc3c2N1CCC3

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 3/20 0.48
CYP11B2 P19099 3/20 0.48
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 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
SCHEMBL6986853 0.89 CYP11B1 (0.50) CYP11B1CYP11B2KMT2AL3MBTL1
SCHEMBL6992548 0.87 NPC1 (0.50) KMT2A
SCHEMBL6989332 0.82 NPC1 (0.46) KMT2A
SCHEMBL1762224 0.79 CES1 (0.57) CYP11B1CYP11B2
SCHEMBL1762467 0.76 CYP11B1 (0.54) CYP11B1CYP11B2KMT2A
SCHEMBL14305454 0.76 CYP11B1 (0.54) CYP11B1CYP11B2KMT2A
SCHEMBL224329 0.71 KMT2A (0.47) KMT2AL3MBTL1
SCHEMBL6748112 0.70 NPC1 (0.51) CYP11B1CYP11B2KMT2A
SCHEMBL31260123 0.70 CYP11B1 (0.47) CYP11B1CYP11B2KMT2A
SCHEMBL15850375 0.70 CYP11B1 (0.47) CYP11B1CYP11B2KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0607864-B1 Tricyclic condensed heterocyclic compounds for the treatment of senile dementic TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-17 EP claimed
EP-0607864-A2 Tricyclic condensed heterocyclic compounds for the treatment of senile dementic Takeda Chemical Industries, Ltd. (JP) 1994-07-27 EP claimed
EP-0607864-B1 Tricyclic condensed heterocyclic compounds for the treatment of senile dementic TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-09-17 EP disclosed