SCHEMBL27933593

SCHEMBL27933593

c1cn(C2CCCCC2)nc1C1CCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.40
MGLL Q99685 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
PKM P14618 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MIF P14174 1/20 0.34
CYP19A1 P11511 2/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
SLC18A3 Q16572 1/20 0.33
WDR5 P61964 1/20 0.32
PARP1 P09874 1/20 0.32
CTSK P43235 1/20 0.31
KCNH2 Q12809 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
SCHEMBL24290451 0.92 FAAH (0.41) FAAHMGLLSIGMAR1NPC1RAB9A
SCHEMBL28949648 0.84 NPC1 (0.42) FAAHMGLLSIGMAR1NPC1RAB9A
SCHEMBL31081840 0.82 FAAH (0.43) FAAHMGLLSIGMAR1NPC1RAB9A
SCHEMBL31081780 0.78 FAAH (0.46) FAAHMGLLSIGMAR1
SCHEMBL31081832 0.78 FAAH (0.46) FAAHMGLLSIGMAR1
SCHEMBL4956106 0.74 NPC1 (0.38) FAAHMGLLNPC1RAB9ASMN1; SMN2
SCHEMBL10049902 0.73 SIGMAR1 (0.41) SIGMAR1NPC1RAB9ASMN1; SMN2LMNA
SCHEMBL18007582 0.73 SIGMAR1 (0.41) SIGMAR1RAB9ASMN1; SMN2LMNAALDH1A1
SCHEMBL17012837 0.73 SIGMAR1 (0.41) SIGMAR1SMN1; SMN2ALDH1A1SLC18A3WDR5
SCHEMBL9383085 0.73 DDB1 (0.45) MGLLNPC1RAB9ASMN1; SMN2LMNA

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
CN-103261196-A Pyrazolopyridines as inhibitors of the kinase lrrk2 MEDICAL RES COUNCIL TECHNOLOGY 2013-08-21 CN disclosed