SCHEMBL4716247

SCHEMBL4716247

O=[C]NCCCc1nc2ccccc2[nH]1

nearest known ligand 0.66

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.66
HTT P42858 2/20 0.55
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
CHRM1 P11229 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PDE10A Q9Y233 1/20 0.51
KDM4E B2RXH2 2/20 0.51
LMNA P02545 2/20 0.50

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
SCHEMBL350138 0.81 PKM (0.61) POLBHTTNPC1RAB9ACHRM1
SCHEMBL7854448 0.81 POLB (0.92) POLBNPC1RAB9ACHRM1PDE10A
SCHEMBL7006523 0.81 POLB (1.00) POLBNPC1RAB9ACHRM1PDE10A
SCHEMBL1884521 0.80 POLB (0.72) POLBHTTNPC1RAB9ASMN1; SMN2
SCHEMBL4716249 0.79 POLB (0.66) POLBHTTNPC1RAB9ACHRM1
SCHEMBL4718040 0.79 CYP2C9 (0.45) POLB
SCHEMBL7854826 0.79 POLB (0.96) POLBNPC1RAB9ACHRM1PDE10A
SCHEMBL30701863 0.79 POLB (0.96) POLBNPC1RAB9ACHRM1PDE10A
SCHEMBL7856315 0.79 POLB (0.96) POLBNPC1RAB9ACHRM1PDE10A
SCHEMBL7856311 0.79 POLB (0.96) POLBNPC1RAB9ACHRM1PDE10A

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-1216230-B1 FUSED CYCLOHEPTANE AND FUSED AZACYCLOHEPTANE COMPOUNDS AND THEIR USE AS INTEGRIN RECEPTOR ANTAGONISTS AMGEN INC (US) 2008-04-23 EP disclosed