SCHEMBL11430656

SCHEMBL11430656

N#CC1CN1C(=O)c1ccncc1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.50
▸ PIK3CD O00329 1/20 0.49
▸ CHRNB2 P17787 3/20 0.49
▸ CHRNB4 P30926 3/20 0.49
▸ CHRNA3 P32297 3/20 0.49
▸ CHRNA4 P43681 3/20 0.49
▸ CHRNA7 P36544 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ PREP P48147 3/20 0.46
▸ RECQL P46063 1/20 0.45
▸ KDM4E B2RXH2 2/20 0.42
▸ POLB P06746 1/20 0.42
▸ NAPRT Q6XQN6 1/20 0.39
▸ RIPK1 Q13546 1/20 0.39

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
SCHEMBL11376801 0.81 DPP4 (0.55) PREP
SCHEMBL11391611 0.81 PREP (0.48) GAAPREP
SCHEMBL11382988 0.81 PREP (0.51) GAAPREPKDM4E
SCHEMBL11375664 0.79 HPGD (0.49) PREPPOLB
SCHEMBL11375517 0.78 PREP (0.48) GAANPC1PREPKDM4E
SCHEMBL11387722 0.78 CHRNB2 (0.50) GAACHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL11381022 0.76 CA2 (0.52) PREP
SCHEMBL11430662 0.76 PREP (0.73) PREP
SCHEMBL11384465 0.75 PREP (0.58) GAANPC1PREP
SCHEMBL11382443 0.74 L3MBTL1 (0.53) CHRNB2CHRNB4CHRNA3CHRNA4CHRNA7

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
US-4267174-A AND PROCESS FOR ADMINISTERING BOEHRINGER MANNHEIM, GMBH (DE) 1981-05-12 — — US disclosed
Send feedback