SCHEMBL4720030

SCHEMBL4720030

O=[C]NCCCCNc1nc2ccccc2o1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ELANE P08246 8/20 0.47
NPC1 O15118 6/20 0.45
RAB9A P51151 6/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
GAA P10253 2/20 0.45
PKM P14618 2/20 0.45
ALDH1A1 P00352 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.40
CSNK1D P48730 1/20 0.40
SCD O00767 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
CASP6 P55212 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL4720033 0.81 ELANE (0.48) ELANENPC1RAB9ASMN1; SMN2GAA
SCHEMBL5139452 0.81 ELANE (0.64) ELANENPC1RAB9ASMN1; SMN2GAA
SCHEMBL4714500 0.80 FAAH (0.40) NPC1RAB9A
SCHEMBL18013093 0.79 ELANE (0.65) ELANENPC1RAB9ASMN1; SMN2GAA
SCHEMBL30583373 0.79 POLB (0.51) ELANENPC1RAB9ASMN1; SMN2GAA
SCHEMBL5834702 0.79 NPC1 (0.50) ELANENPC1RAB9ASMN1; SMN2GAA
SCHEMBL5835497 0.79 NPC1 (0.45) ELANENPC1RAB9ASMN1; SMN2GAA
SCHEMBL4720021 0.78 NPC1 (0.60) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL1990188 0.75 KDM4E (0.53) ELANENPC1RAB9ASMN1; SMN2GAA
SCHEMBL4686908 0.75 NPC1 (0.55) ELANENPC1RAB9ASMN1; SMN2GAA

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