SCHEMBL6989332

SCHEMBL6989332

O=C1Cc2c[c]cc3c2N1CCCC3

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
TTR P02766 1/20 0.46
LMNA P02545 2/20 0.42
MAPT P10636 3/20 0.41
KMT2A Q03164 1/20 0.40
RAB9A P51151 1/20 0.39
TDP1 Q9NUW8 1/20 0.38
GAA P10253 1/20 0.37
TP53 P04637 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
SCHEMBL6992548 0.95 NPC1 (0.50) NPC1TTRLMNAMAPTKMT2A
SCHEMBL6990481 0.82 CYP11B1 (0.48) KMT2A
SCHEMBL9560034 0.77 CES1 (0.50) NPC1TTRLMNAMAPTKMT2A
SCHEMBL6986853 0.74 CYP11B1 (0.50) KMT2ATDP1
SCHEMBL988203 0.71 CES1 (0.56) NPC1TTRLMNAMAPTKMT2A
SCHEMBL29876793 0.70 NPC1 (0.57) NPC1TTRLMNAMAPTKMT2A
SCHEMBL11714271 0.70 NPC1 (0.61) NPC1TTRLMNAMAPTKMT2A
SCHEMBL11717588 0.70 NPC1 (0.57) NPC1TTRLMNAMAPTKMT2A
SCHEMBL11714046 0.70 NPC1 (0.57) NPC1TTRLMNAMAPTKMT2A
SCHEMBL29876747 0.66 NPC1 (0.68) NPC1TTRLMNAMAPTKMT2A

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