SCHEMBL8816926

SCHEMBL8816926

Cc1cccc(-c2nc3c(Cc4ccccc4)cc(OCCN(Cc4ccccc4)Cc4ccccc4)cc3[nH]2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 3/20 0.41
▸ DHODH Q02127 4/20 0.40
▸ MAP4K4 O95819 2/20 0.39
▸ PIM1 P11309 2/20 0.39
▸ PIM3 Q86V86 2/20 0.39
▸ AURKB Q96GD4 2/20 0.39
▸ CLK4 Q9HAZ1 2/20 0.39
▸ STK17A Q9UEE5 2/20 0.39
▸ MAP4K5 Q9Y4K4 2/20 0.39
▸ DYRK3 O43781 1/20 0.39
▸ RPS6KB1 P23443 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ PKN2 Q16513 1/20 0.39
▸ BRSK1 Q8TDC3 1/20 0.39
▸ HIPK2 Q9H2X6 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ MGAM O43451 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ SI P14410 1/20 0.38
▸ MGAM2 Q2M2H8 1/20 0.38

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
SCHEMBL8082476 0.93 ACHE (0.49) ACHEDHODHMAP4K4PIM1PIM3
SCHEMBL8818678 0.91 DYRK3 (0.48) ACHEDHODHMAP4K4PIM1PIM3
SCHEMBL8819001 0.88 CHEK2 (0.44) ACHEDHODHMAP4K4PIM1PIM3
SCHEMBL8817561 0.87 PPARG (0.40) ACHEDHODHMAP4K4PIM1PIM3
SCHEMBL8891323 0.87 DHODH (0.42) DHODHMGAMGAASIMGAM2
SCHEMBL8818920 0.87 DHODH (0.42) DHODHMGAMGAASIMGAM2
SCHEMBL8818766 0.85 ACHE (0.41) ACHEPPARGPPARACSF1RNPC1
SCHEMBL8814893 0.82 ACHE (0.51) ACHEDHODHPARP1CYP1A2LTA4H
SCHEMBL8084229 0.81 DHODH (0.40) DHODHMGAMGAASIMGAM2
SCHEMBL8816605 0.81 ACHE (0.52) ACHEDHODHL3MBTL1PARP1CYP1A2

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
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO claimed
WO-1997033873-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 — — WO disclosed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
Send feedback