SCHEMBL8307864

SCHEMBL8307864

NCC(=O)Nn1cccc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 11/20 0.36
CA2 P00918 11/20 0.36
HCAR2 Q8TDS4 1/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
MMP2 P08253 1/20 0.32

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 SCHEMBL8304035 0.98 CA1 (0.35) CA1CA2HCAR2GABRPGABRD
SCHEMBL8304855 0.76 HCAR2 (0.35) CA1CA2HCAR2
Hydrochloric Acid SCHEMBL8303414 0.75 HCAR2 (0.34) CA1CA2HCAR2LMNAAOC3
SCHEMBL8441148 0.75 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
Bromide SCHEMBL10367565 0.74 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL8304040 0.74 GABRP (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9122796 0.73 CA1 (0.39) CA1CA2GABRPGABRDGABRA1
SCHEMBL10909763 0.72 RECQL (0.49) LMNA
SCHEMBL9122354 0.72 HCAR2 (0.33) CA1CA2HCAR2MMP2LMNA
Hydrochloric Acid SCHEMBL8307896 0.72 CA1 (0.38) CA1CA2GABRPGABRDGABRA1

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-0582182-B1 1-Aminoacetamidopyrroles and 1-amino-2-(substituted) pyrroles and their use for the treatment of neurodegenerative dysfunctions HOECHST MARION ROUSSEL INC (US) 1999-10-20 EP claimed
US-5428053-A Treats alzheimer's disease and other senile dementias HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1995-06-27 US claimed