SCHEMBL691443

SCHEMBL691443

COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.54
PKM P14618 2/20 0.45
GAA P10253 1/20 0.45
MCHR1 Q99705 1/20 0.44
SIGMAR1 Q99720 1/20 0.43
BCHE P06276 2/20 0.43
MAOB P27338 2/20 0.43
ACHE P22303 1/20 0.43
NR1H2 P55055 1/20 0.42
SCN4A P35499 2/20 0.42
TSHR P16473 1/20 0.42
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42

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
SCHEMBL691646 1.00 LTA4H (0.54) LTA4HPKMGAAMCHR1SIGMAR1
Hydrochloric Acid SCHEMBL30412643 0.99 LTA4H (0.53) LTA4HPKMGAAMCHR1SIGMAR1
SCHEMBL14033539 0.88 LTA4H (0.52) LTA4HMCHR1SIGMAR1BCHEMAOB
SCHEMBL6076846 0.88 MLNR (0.49) LTA4H
SCHEMBL5242188 0.86 LTA4H (0.54) LTA4HPKMGAASIGMAR1ACHE
SCHEMBL5456925 0.86 LTA4H (0.54) LTA4HPKMGAASIGMAR1ACHE
SCHEMBL25154290 0.85 LTA4H (0.56) LTA4HPKMGAASIGMAR1
SCHEMBL3626359 0.85 LTA4H (0.56) LTA4HPKMGAASIGMAR1
SCHEMBL3493009 0.85 LTA4H (0.56) LTA4HPKMGAASIGMAR1
SCHEMBL10674002 0.83 LTA4H (0.54) LTA4HPKMGAASIGMAR1

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-2421870-A2 MODULATORS OF 5-HT RECEPTORS AND METHODS OF USE THEREOF Abbott Laboratories (US) 2012-02-29 EP disclosed