SCHEMBL14503358

SCHEMBL14503358

COc1ccc(CNc2nc(N3CCCCC3)nc(N3CCCCC3)n2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 7/20 0.65
▸ NPSR1 Q6W5P4 4/20 0.65
▸ GBA1 P04062 4/20 0.59
▸ LMNA P02545 5/20 0.57
▸ POLB P06746 3/20 0.57
▸ TSHR P16473 2/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ CRHBP P24387 1/20 0.57
▸ CRHR2 Q13324 1/20 0.57
▸ HTT P42858 4/20 0.54
▸ HSD17B10 Q99714 2/20 0.53
▸ MAPK1 P28482 3/20 0.51
▸ KDM4E B2RXH2 2/20 0.51
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ APLNR P35414 1/20 0.50
▸ GAA P10253 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ PKM P14618 1/20 0.49
▸ RAB9A P51151 1/20 0.49

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
SCHEMBL1443432 0.88 MAPT (0.65) MAPTNPSR1GBA1ALOX15HTT
SCHEMBL14503296 0.84 MAPT (0.63) MAPTNPSR1GBA1LMNAPOLB
SCHEMBL5380866 0.82 MAPT (0.49) MAPTNPSR1GBA1LMNATSHR
SCHEMBL13326030 0.78 GBA1 (0.61) MAPTNPSR1GBA1LMNAPOLB
SCHEMBL14504429 0.78 NPSR1 (0.56) MAPTNPSR1GBA1LMNAPOLB
SCHEMBL14503314 0.77 LMNA (0.58) MAPTNPSR1GBA1LMNAPOLB
SCHEMBL11961929 0.76 MEN1 (0.58) MAPTLMNAALOX15HTTMAPK1
SCHEMBL23852696 0.75 APLNR (0.59) MAPTLMNATSHRALOX15HTT
SCHEMBL18062214 0.75 APLNR (0.59) MAPTLMNATSHRALOX15HTT
SCHEMBL14504152 0.74 LMNA (0.53) MAPTNPSR1GBA1LMNAPOLB

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
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 — — US disclosed
US-7223759-B2 Antibacterial 3,5-diaminopiperidine-substituted aromatic and heteroaromatic compounds ANADYS PHARMACEUTICALS, INC. (US) 2007-05-29 — — US disclosed
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