SCHEMBL6960082

SCHEMBL6960082

COc1ccc(-c2[nH]nc(N3CCC(c4ccccc4)CC3)c2NC=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
ALDH1A1 P00352 7/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HSD11B1 P28845 1/20 0.42
NR3C1 P04150 1/20 0.41
CCNE2 O96020 2/20 0.41
CDK4 P11802 2/20 0.41
CCND1 P24385 2/20 0.41
CCNE1 P24864 2/20 0.41
CDK2 P24941 2/20 0.41
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
LMNA P02545 2/20 0.39
HPGD P15428 1/20 0.39
HIF1A Q16665 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TRPC3 Q13507 1/20 0.38
TRPC6 Q9Y210 1/20 0.38
MEN1 O00255 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
SCHEMBL6956631 0.86 MAPT (0.44) MAPTALDH1A1RAB9ANPC1CCNE2
SCHEMBL6964319 0.82 MAPT (0.40) MAPTALDH1A1RAB9ANPC1CCNE2
SCHEMBL6960085 0.78 MAPT (0.47) MAPTALDH1A1RAB9ANPC1HSD11B1
SCHEMBL6955871 0.77 MAPT (0.40) MAPTALDH1A1RAB9ANPC1HSD11B1
SCHEMBL6968659 0.75 MAP4K1 (0.46) MAPTALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL6959295 0.74 MEN1 (0.42) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL6961528 0.73 HTR7 (0.48) MAPTALDH1A1RAB9ALMNAHPGD
SCHEMBL6967175 0.72 KDM4E (0.38) MAPTALDH1A1SMN1; SMN2LMNAHPGD
SCHEMBL6956776 0.71 MAP4K1 (0.42) MAPTALDH1A1CCNE2CDK4CCND1
SCHEMBL6974758 0.69 DRD2 (0.36) MAPTALDH1A1RAB9ANPC1LMNA

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
EP-0955293-B1 UREA DERIVATIVES BANYU PHARMA CO LTD (JP) 2003-03-19 EP claimed