SCHEMBL6438378

SCHEMBL6438378

COC(=O)C(=O)c1c(C2CCN(Cc3ccccn3)CC2)[nH]c2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
CCNT1 O60563 2/20 0.46
CDK9 P50750 2/20 0.46
NPC1 O15118 1/20 0.45
KDM4E B2RXH2 2/20 0.45
POLB P06746 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45
ALDH1A1 P00352 3/20 0.45
TLR9 Q9NR96 1/20 0.44
TLR8 Q9NR97 1/20 0.44
TLR7 Q9NYK1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
LMNA P02545 2/20 0.43
RAB9A P51151 1/20 0.43
PKM P14618 1/20 0.43
SLC5A7 Q9GZV3 1/20 0.43
DRD4 P21917 1/20 0.41
KMT2A Q03164 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
SCHEMBL5251920 0.80 TUBB4A (0.54) NPC1KDM4EALDH1A1RAB9AKMT2A
SCHEMBL588318 0.72 PRKCG (0.55) L3MBTL1CDK9NPC1KDM4EPOLB
SCHEMBL30306703 0.72 TLR9 (0.42) L3MBTL1CCNT1CDK9KDM4EPOLB
SCHEMBL28451423 0.67 L3MBTL1 (0.63) L3MBTL1NPC1KDM4EPOLBCYP2D6
SCHEMBL21061928 0.67 L3MBTL1 (0.63) L3MBTL1NPC1KDM4EPOLBCYP2D6
SCHEMBL30435016 0.67 L3MBTL1 (0.63) L3MBTL1NPC1KDM4EPOLBCYP2D6
SCHEMBL28451514 0.67 L3MBTL1 (0.63) L3MBTL1NPC1KDM4EPOLBCYP2D6
SCHEMBL28663269 0.67 L3MBTL1 (0.62) L3MBTL1NPC1KDM4EPOLBCYP2D6
SCHEMBL20097550 0.66 ALDH1A1 (0.73) L3MBTL1KDM4EPOLBCYP2D6CYP2C19
SCHEMBL6994948 0.66 L3MBTL1 (0.97) L3MBTL1KDM4EPOLBCYP2D6CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1523313-A1 CRYSTALLINE 2,5-DIONE-3-(1-METHYL-1H-INDOL-3-YL)-4- 1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-4-YL]-1H-INDOL-3-YL]-1H-PYRROLE MONO-HYDROCHLORIDE ELI LILLY AND COMPANY (US) 2005-04-20 EP disclosed
WO-2004006928-A1 CRYSTALLINE 2,5-DIONE-3-(1-METHYL-1H-INDOL-3-YL)-4-[1-(PYRIDIN-2-YLMETHYL)PIPERIDIN-4-YL]-1H-INDOL-3-YL]-1H-PYRROLE MONO-HYDROCHLORIDE ELI LILLY AND COMPANY (US) 2004-01-22 WO disclosed