SCHEMBL9527868

SCHEMBL9527868

CCCc1nc(C2=CN3CCC2CC3)no1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ HTT P42858 1/20 0.46
▸ CHRM2 P08172 9/20 0.44
▸ CHRM4 P08173 9/20 0.44
▸ CHRM5 P08912 9/20 0.44
▸ CHRM1 P11229 9/20 0.44
▸ CHRM3 P20309 9/20 0.44
▸ NAMPT P43490 1/20 0.38
▸ FDFT1 P37268 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ TSHR P16473 1/20 0.36
▸ RECQL P46063 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.36

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
Oxalic Acid SCHEMBL9404330 0.93 NAMPT (0.41) RAB9ANPC1SMN1; SMN2HTTCHRM2
SCHEMBL9527878 0.81 RAB9A (0.43) RAB9ANPC1SMN1; SMN2HTTNAMPT
SCHEMBL9451873 0.75 CA12 (0.44) RAB9ANPC1SMN1; SMN2HTTCHRM2
Oxalic Acid SCHEMBL9404333 0.75 NAMPT (0.39) RAB9ANPC1SMN1; SMN2HTTCHRM2
Oxalic Acid SCHEMBL9451921 0.69 LMNA (0.47) SMN1; SMN2CHRM2CHRM4CHRM5CHRM1
SCHEMBL14288613 0.66 RAB9A (0.70) RAB9ANPC1SMN1; SMN2HTTL3MBTL1
SCHEMBL16975850 0.65 SMN1; SMN2 (0.71) RAB9ANPC1SMN1; SMN2HTTL3MBTL1
Oxalic Acid SCHEMBL9404461 0.65 NAMPT (0.39) RAB9ANPC1SMN1; SMN2HTTCHRM2
SCHEMBL10914161 0.64 RAB9A (0.69) RAB9ANPC1SMN1; SMN2HTTNAMPT
Dimethylamine SCHEMBL7961636 0.63 HTR1A (0.64) RAB9ANPC1SMN1; SMN2HTTNAMPT

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-0316718-B1 AZACYCLIC COMPOUNDS AND THEIR PREPARATION AND USE NOVO NORDISK A/S (DK) 1993-09-15 — — EP claimed
EP-0316718-A2 Azacyclic compounds and their preparation and use NOVO NORDISK A/S (DK) 1989-05-24 — — EP claimed
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