SCHEMBL8909807

SCHEMBL8909807

COc1ccc(CN(c2ccccc2)c2ccccc2N)cc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.46
LTA4H P09960 1/20 0.45
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 2/20 0.43
BCL2A1 Q16548 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR1 P21554 1/20 0.41
CNR2 P34972 1/20 0.41
PYCR1 P32322 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
OPRM1 P35372 1/20 0.41
OPRL1 P41146 1/20 0.41
G6PC1 P35575 1/20 0.40
NSD2 O96028 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.40
HTT P42858 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
SCHEMBL8908075 0.84 LTA4H (0.57) ACHELTA4HTSHRTDP1MEN1
SCHEMBL12201054 0.81 CNR2 (0.49) LTA4HTSHRTDP1MEN1KMT2A
SCHEMBL27827514 0.79 LTA4H (0.55) ACHELTA4HTSHRTDP1CNR1
SCHEMBL8061283 0.76 ESR1 (0.54) ACHELTA4HTSHRMEN1KMT2A
SCHEMBL22725339 0.76 TSPO (0.38) ACHETSHRTDP1
SCHEMBL11876060 0.76 ESR2 (0.54) ACHELTA4HTSHRTDP1MEN1
SCHEMBL11052720 0.74 LTA4H (0.53) ACHELTA4HTSHRTDP1MEN1
SCHEMBL26694572 0.74 LTA4H (0.57) ACHELTA4HTSHRMEN1KMT2A
SCHEMBL11876127 0.73 BCHE (0.53) LTA4HTSHRMEN1KMT2A
SCHEMBL14158372 0.73 SMN1; SMN2 (0.44) TSHRMEN1KMT2A

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-5646140-A CHOLECYSTOKININ ANTAGONIST; APETITE CONTROL GLAXO WELLCOME INC. (US) 1997-07-08 US disclosed