SCHEMBL11748786

SCHEMBL11748786

COc1ccc(-c2nnc(N3CCN(CCO)CC3)nc2-c2ccc(OC)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
HTR2A P28223 2/20 0.50
SCN9A Q15858 1/20 0.50
CHRNA7 P36544 1/20 0.50
KMT2A Q03164 8/20 0.48
SRC P12931 1/20 0.48
MEN1 O00255 6/20 0.47
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 2/20 0.44
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
USP2 O75604 1/20 0.44
TSHR P16473 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
DRD2 P14416 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
CYP3A4 P08684 1/20 0.43

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
SCHEMBL11743621 0.92 CHRNA7 (0.45) MAPTHTR2ASCN9ACHRNA7KMT2A
SCHEMBL11749818 0.92 CHRNA7 (0.45) MAPTHTR2ASCN9ACHRNA7KMT2A
SCHEMBL11744352 0.84 MAPT (0.69) MAPTSCN9AKMT2AMEN1NPSR1
SCHEMBL11744818 0.83 MAPT (0.50) MAPTSCN9AKMT2AMEN1NPSR1
SCHEMBL11747226 0.81 MAPT (0.48) MAPTHTR2ASCN9ACHRNA7KMT2A
SCHEMBL11742877 0.80 MEN1 (0.63) MAPTKMT2AMEN1NPSR1TP53
SCHEMBL11742574 0.80 ALDH1A1 (0.43) MAPTSCN9AKMT2AMEN1NPSR1
SCHEMBL11748212 0.79 SCN9A (0.48) MAPTSCN9AKMT2AMEN1NPSR1
Hydrochloric Acid SCHEMBL9695711 0.78 KDM4E (0.47) KMT2AMEN1TP53KDM4EALDH1A1
SCHEMBL14249540 0.78 SRC (0.60) MAPTHTR2ASCN9ACHRNA7KMT2A

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
US-4008232-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1977-02-15 US disclosed
US-3979516-A Anti-inflammatory 3-amino-5,6-diaryl-1,2,4-triazines ELI LILLY AND COMPANY (US) 1976-09-07 US disclosed
US-3948894-A ANTIINFLAMMATORY ELI LILLY AND COMPANY (US) 1976-04-06 US disclosed