SCHEMBL10907186

SCHEMBL10907186

CN(C(=O)CN)n1cccc1C(=O)c1ccccc1Cl

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.45
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GABRP O00591 3/20 0.39
GABRD O14764 3/20 0.39
GABRA1 P14867 3/20 0.39
GABRB1 P18505 3/20 0.39
GABRG2 P18507 3/20 0.39
GABRB3 P28472 3/20 0.39
GABRA5 P31644 3/20 0.39
GABRA3 P34903 3/20 0.39
GABRA2 P47869 3/20 0.39
GABRB2 P47870 3/20 0.39
GABRA4 P48169 3/20 0.39
GABRE P78334 3/20 0.39
GABRA6 Q16445 3/20 0.39
GABRG1 Q8N1C3 3/20 0.39
GABRG3 Q99928 3/20 0.39
GABRQ Q9UN88 3/20 0.39
KMT2A Q03164 3/20 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
Bromide SCHEMBL10365280 0.99 CNR2 (0.44) CNR2SMN1; SMN2HSD17B10GABRPGABRD
SCHEMBL10907133 0.85 ALDH1A1 (0.36) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10366466 0.84 CNR2 (0.46) CNR2SMN1; SMN2HSD17B10KMT2AMEN1
Bromide SCHEMBL10365171 0.84 ALDH1A1 (0.35) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10909585 0.81 MEN1 (0.47) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10365843 0.80 CNR2 (0.40) CNR2SMN1; SMN2KMT2AMEN1RAB9A
Fumaric Acid SCHEMBL10366170 0.76 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10367833 0.75 CNR2 (0.41) CNR2SMN1; SMN2HSD17B10KMT2AMEN1
SCHEMBL10367832 0.75 CNR2 (0.43) CNR2SMN1; SMN2HSD17B10KMT2AMEN1
SCHEMBL10365419 0.73 CNR2 (0.44) CNR2SMN1; SMN2HSD17B10GABRPGABRD

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-4588727-A ANALGESICS, TRANQUILLIZERS, ANTICONVULSANTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-05-13 US claimed