SCHEMBL9315819

SCHEMBL9315819

NCC(CC(=O)O)c1cc2cc(Cl)ccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 5/20 0.52
GABBR1 Q9UBS5 5/20 0.52
LMNA P02545 2/20 0.52
CYP2C9 P11712 2/20 0.52
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP3A4 P08684 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
NFKB1 P19838 1/20 0.52
DRD3 P35462 1/20 0.52
BLM P54132 1/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C19 P33261 1/20 0.52
THRB P10828 1/20 0.52
TSHR P16473 1/20 0.52
F7 P08709 1/20 0.49
F3 P13726 1/20 0.49
SIRT1 Q96EB6 1/20 0.48
LOXL2 Q9Y4K0 1/20 0.47

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
SCHEMBL9315887 0.84 PIN1 (0.49) GABBR2GABBR1LMNACYP2C9MEN1
SCHEMBL9316695 0.82 GABBR2 (0.53) GABBR2GABBR1LMNACYP2C9MEN1
SCHEMBL9594608 0.81 PDGFRB (0.50) LMNACYP2C9MEN1KMT2ACYP3A4
SCHEMBL1253869 0.74 LOXL2 (0.58) LMNAMEN1KMT2AF7F3
SCHEMBL8761869 0.73 HRH4 (0.51) LMNAMEN1KMT2AF7F3
SCHEMBL1612838 0.73 FFAR1 (0.39) CYP2C9MEN1KMT2ACYP1A2CYP2C19
SCHEMBL10865864 0.73 F7 (0.55) LMNAMEN1KMT2AF7F3
SCHEMBL9202393 0.71 GABBR2 (0.54) GABBR2GABBR1LMNACYP2C9MEN1
SCHEMBL23875945 0.70 HRH4 (0.54) LMNAMEN1KMT2AF7F3
Baclofen SCHEMBL19334 0.70 GABBR2 (1.00) GABBR2GABBR1LMNACYP2C9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
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