SCHEMBL9124178

SCHEMBL9124178

CC1CCN(C2=NC(N)C(=O)N(C)c3ccccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.54
GABRD O14764 1/20 0.54
GABRA1 P14867 1/20 0.54
GABRB1 P18505 1/20 0.54
GABRG2 P18507 1/20 0.54
GABRB3 P28472 1/20 0.54
GABRA5 P31644 1/20 0.54
GABRA3 P34903 1/20 0.54
GABRA2 P47869 1/20 0.54
GABRB2 P47870 1/20 0.54
GABRA4 P48169 1/20 0.54
GABRE P78334 1/20 0.54
GABRA6 Q16445 1/20 0.54
GABRG1 Q8N1C3 1/20 0.54
GABRG3 Q99928 1/20 0.54
GABRQ Q9UN88 1/20 0.54
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
USP2 O75604 1/20 0.43
GAA P10253 1/20 0.43

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
SCHEMBL8883876 0.87 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3289711 0.87 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8883843 0.87 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8883874 0.87 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8883468 0.87 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3293441 0.87 GABRP (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6005283 0.86 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3287608 0.85 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8883253 0.85 GABRP (0.54) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL4701534 0.84 GABRP (0.55) GABRPGABRDGABRA1GABRB1GABRG2

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
US-5438055-A Antiarrhythmic benzodiazepines MERCK & CO., INC. (US) 1995-08-01 US disclosed
WO-1995014473-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO., INC. (US) 1995-06-01 WO disclosed