SCHEMBL9316701

SCHEMBL9316701

O=C1CC(c2cc3cc(Cl)ccc3[nH]2)CN1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.44
F11 P03951 1/20 0.44
F7 P08709 1/20 0.41
F3 P13726 1/20 0.41
PDE4A P27815 3/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
LOXL2 Q9Y4K0 1/20 0.39
PYGL P06737 3/20 0.38
PYGM P11217 3/20 0.38
MTNR1A P48039 1/20 0.38
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38

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
SCHEMBL9316069 0.83 DAO (0.44) DAOPDE4APDE4BPDE4CPDE4D
SCHEMBL9202281 0.81 MTNR1A (0.51) DAOPDE4APDE4BPDE4CPDE4D
SCHEMBL9316760 0.80 MTNR1A (0.54) PDE4APDE4BPDE4CPDE4DLOXL2
SCHEMBL7859535 0.73 HRH4 (0.46) DAOF11F7F3LOXL2
SCHEMBL9200232 0.70 MAOB (0.45) PDE4APDE4BPDE4CPDE4DMTNR1A
SCHEMBL560686 0.70 TSHR (0.57) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL657357 0.70 TSHR (0.57) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL22831445 0.70 TSHR (0.57) PDE4APDE4BPDE4CPDE4DMEN1
SCHEMBL9200230 0.69 MTNR1A (0.40) DAOPDE4APDE4BPDE4CPDE4D
SCHEMBL559712 0.69 MTNR1A (0.48) PDE4APDE4BPDE4CPDE4DMTNR1A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5278166-A 4-amino-3-heteroaryl butyric acid compounds, compositions, and their use for treating disorders involving a dysfunction of GABAB receptors ADIR ET COMPAGNIE (FR) 1994-01-11 US disclosed
US-5214063-A 4-aminobutyric acid compounds, compositions and methods of use for treating disorders related to a dysfunction of GABAB receptors ADIR ET COMPAGNIE (FR) 1993-05-25 US disclosed
US-5162364-A Treatment of spastic and senescence disorders ADIR ET COMPAGNIE (FR) 1992-11-10 US disclosed