SCHEMBL9050436

SCHEMBL9050436

c1cnc2c(OC3CCC3)cccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 4/20 0.57
DDB1 Q16531 1/20 0.53
CRBN Q96SW2 1/20 0.53
KDM4E B2RXH2 3/20 0.49
SLC9A3 P48764 1/20 0.48
PDE5A O76074 1/20 0.47
PDE4A P27815 1/20 0.47
PDE4B Q07343 1/20 0.47
PDE4C Q08493 1/20 0.47
PDE4D Q08499 1/20 0.47
RAB9A P51151 5/20 0.46
MAPT P10636 2/20 0.46
LMNA P02545 5/20 0.45
NPC1 O15118 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
METAP2 P50579 2/20 0.44
METAP1 P53582 2/20 0.44
HDAC6 Q9UBN7 1/20 0.44

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
Hydrochloric Acid SCHEMBL9051831 0.98 MCHR1 (0.56) MCHR1DDB1CRBNKDM4ESLC9A3
SCHEMBL4887893 0.97 MCHR1 (0.61) MCHR1DDB1CRBNKDM4ESLC9A3
SCHEMBL9632180 0.95 MCHR1 (0.64) MCHR1DDB1CRBNKDM4ESLC9A3
SCHEMBL29506919 0.93 DDB1 (0.56) MCHR1DDB1CRBNKDM4ESLC9A3
SCHEMBL3129814 0.87 DDB1 (0.51) MCHR1DDB1CRBNKDM4ESLC9A3
SCHEMBL6919858 0.86 MCHR1 (0.51) MCHR1DDB1CRBNKDM4ESLC9A3
SCHEMBL6922462 0.86 MCHR1 (0.51) MCHR1DDB1CRBNKDM4ESLC9A3
SCHEMBL3715640 0.86 DDB1 (0.53) MCHR1DDB1CRBNKDM4ERAB9A
SCHEMBL21227882 0.82 DDB1 (0.52) MCHR1DDB1CRBNKDM4ESLC9A3
SCHEMBL6919865 0.81 DDB1 (0.49) MCHR1DDB1CRBNKDM4ESLC9A3

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-0445731-B1 Azabicyclo and azacyclo oxime and amine cholinergic agents and pharmaceutically acceptable salts thereof WARNER LAMBERT CO (US) 1996-01-10 EP claimed
WO-2018069863-A1 1,3 DI-SUBSTITUTED CYCLOBUTANE OR AZETIDINE DERIVATIVES AS HEMATOPOIETIC PROSTAGLANDIN D SYNTHASE INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-19 WO disclosed