SCHEMBL6920070

SCHEMBL6920070

CCN(C)COc1c(C)n(C(C)=O)c2ccc(OC)cc12

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
PTGS2 P35354 2/20 0.44
KDM4E B2RXH2 2/20 0.44
AKR1C3 P42330 3/20 0.42
AKR1C2 P52895 2/20 0.42
MAPT P10636 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP2D6 P10635 2/20 0.42
LMNA P02545 1/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
HIF1A Q16665 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALDH1A1 P00352 1/20 0.41
CYP2C19 P33261 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
SCHEMBL3557435 0.84 HPGD (0.47) MEN1KMT2APTGS2AKR1C3AKR1C2
SCHEMBL6440279 0.82 POLB (0.47) KDM4EMAPTHSD17B10LMNATSHR
SCHEMBL6921207 0.78 KDM4E (0.44) MEN1KMT2APTGS2KDM4EAKR1C3
SCHEMBL3558589 0.74 MAPT (0.51) MEN1KMT2AKDM4EAKR1C3AKR1C2
SCHEMBL18052964 0.73 MAPT (0.50) MEN1KMT2AKDM4EAKR1C3AKR1C2
SCHEMBL10876035 0.72 AKR1C3 (0.76) MEN1KMT2APTGS2KDM4EAKR1C3
SCHEMBL6920234 0.71 P2RX4 (0.45) PTGS2MAPTHTTCYP1A2CYP2D6
SCHEMBL6817298 0.70 LMNA (0.61) MEN1KMT2APTGS2KDM4EAKR1C3
SCHEMBL31336577 0.70 PTGS2 (0.44) MEN1KMT2APTGS2KDM4EAKR1C3
SCHEMBL3553237 0.69 KDM4E (0.44) MEN1KMT2AKDM4ECYP1A2ALDH1A1

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
WO-2004048331-A1 N-ARYLALKYL-3-AMINOALKOXYINDOLES AND THEIR USE AS 5-HT LIGANDS SUVEN LIFE SCIENCES LIMITED (IN) 2004-06-10 WO disclosed