SCHEMBL4674836

SCHEMBL4674836

C1=CC(c2ccccc2)(c2ccc(N3CCCCCC3)cc2)Oc2ccc3cc(N4CCCC4)ccc3c21

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TERT O14746 3/20 0.34
CNR1 P21554 3/20 0.34
HTR6 P50406 2/20 0.33
PRKDC P78527 4/20 0.33
DHODH Q02127 1/20 0.32
IDH1 O75874 1/20 0.32
DPP4 P27487 2/20 0.32
ERBB2 P04626 1/20 0.31

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
SCHEMBL4673267 1.00 HTT (0.35) HTTSMN1; SMN2TERTCNR1HTR6
SCHEMBL4673163 1.00 HTT (0.35) HTTSMN1; SMN2TERTCNR1HTR6
SCHEMBL4671088 1.00 HTT (0.35) HTTSMN1; SMN2TERTCNR1HTR6
SCHEMBL6321380 1.00 HTT (0.35) HTTSMN1; SMN2TERTCNR1HTR6
SCHEMBL4673869 0.96 PRKDC (0.39) HTTSMN1; SMN2PRKDCDPP4
SCHEMBL4677173 0.96 PRKDC (0.39) HTTSMN1; SMN2PRKDCDPP4
SCHEMBL4676232 0.96 PRKDC (0.39) HTTSMN1; SMN2PRKDCDPP4
SCHEMBL4670960 0.96 PRKDC (0.39) HTTSMN1; SMN2PRKDCDPP4
SCHEMBL4670962 0.95 PRKDC (0.39) HTTSMN1; SMN2PRKDCDPP4
SCHEMBL4670953 0.94 IDH1 (0.33) HTTSMN1; SMN2TERTCNR1HTR6

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
EP-1461330-B1 3H-NAPHTHO[2,1-b]-PYRANE DERIVATIVES AND THEIR USE RODENSTOCK GMBH (DE) 2008-03-12 EP claimed
EP-1461330-B1 3H-NAPHTHO[2,1-b]-PYRANE DERIVATIVES AND THEIR USE RODENSTOCK GMBH (DE) 2008-03-12 EP disclosed