SCHEMBL5208544

SCHEMBL5208544

N#Cc1ccc([CH]Cc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 5/20 0.53
MAOA P21397 3/20 0.53
SNCA P37840 2/20 0.49
TSHR P16473 1/20 0.48
NPC1 O15118 2/20 0.45
GAA P10253 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
MAPT P10636 2/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
KMT2A Q03164 2/20 0.41
KDM4E B2RXH2 1/20 0.41
PKM P14618 1/20 0.41
ATM Q13315 1/20 0.41
CYP2A6 P11509 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.41
HTT P42858 1/20 0.40
MEN1 O00255 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
SCHEMBL6032402 0.90 LOXL2 (0.50) MAOBMAOANPC1GAARAB9A
SCHEMBL6435082 0.90 NPC1 (0.44) MAOBMAOASNCATSHRNPC1
SCHEMBL4304998 0.90 NPC1 (0.44) MAOBMAOASNCATSHRNPC1
SCHEMBL7666461 0.81 CYP2A6 (0.68) MAOBMAOATSHRGAASMN1; SMN2
SCHEMBL3410482 0.81 MAOA (0.56) MAOBMAOATSHRSMN1; SMN2MAPT
SCHEMBL69726 0.79 MAOB (0.57) MAOBMAOATSHRSMN1; SMN2ALDH1A1
SCHEMBL10804609 0.78 MAOB (0.44) MAOBMAOAGAAMAPTALDH1A1
SCHEMBL8712652 0.75 MAOB (0.48) MAOBTSHRGAAMAPTALDH1A1
SCHEMBL19437177 0.74 MAOB (0.41) MAOBMAOAGAASMN1; SMN2L3MBTL1
SCHEMBL654153 0.74 NFE2L2 (0.52) MAOBTSHRSMN1; SMN2MAPTALDH1A1

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-1556372-B1 SUBSTITUTED 4-AMINO-1-(PYRIDYLMETHYL) PIPERIDINE AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE INC (US) 2007-05-30 EP claimed