SCHEMBL6986853

SCHEMBL6986853

O=C1CCc2c[c]cc3c2N1CC3

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 13/20 0.50
CYP11B2 P19099 13/20 0.50
L3MBTL1 Q9Y468 1/20 0.47
CYP19A1 P11511 5/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46

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
SCHEMBL6990481 0.89 CYP11B1 (0.48) CYP11B1CYP11B2L3MBTL1KMT2A
Pyroquilon SCHEMBL29473298 0.78 MAP2K1 (0.53) CYP11B1CYP11B2L3MBTL1CYP19A1
Pyroquilon SCHEMBL29473299 0.78 MAP2K1 (0.53) CYP11B1CYP11B2L3MBTL1CYP19A1
Pyroquilon SCHEMBL8820252 0.78 MAP2K1 (0.55) CYP11B1CYP11B2L3MBTL1CYP19A1
Pyroquilon SCHEMBL29473240 0.78 MAP2K1 (0.55) CYP11B1CYP11B2L3MBTL1CYP19A1
Pyroquilon SCHEMBL22234 0.78 MAP2K1 (0.55) CYP11B1CYP11B2L3MBTL1CYP19A1
Pyroquilon SCHEMBL29473172 0.76 MAP2K1 (0.54) CYP11B1CYP11B2L3MBTL1CYP19A1
Pyroquilon SCHEMBL19409911 0.76 MAP2K1 (0.54) CYP11B1CYP11B2L3MBTL1CYP19A1
SCHEMBL6992548 0.76 NPC1 (0.50) KMT2ATDP1
SCHEMBL7134349 0.74 CYP11B1 (0.66) CYP11B1CYP11B2L3MBTL1CYP19A1KMT2A

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 4 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
US-5527800-A A 4H-PYRROLO(3,2,1-IJ)QUINOLIN-8-YL DERIVATIVE ADMINISTERED FOR THERAPY OR PROPHYLAXIS OF SENILE DEMENTIA TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1996-06-18 US 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