SCHEMBL8640341

SCHEMBL8640341

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.44
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
USP2 O75604 2/20 0.44
GABRP O00591 1/20 0.40
GABRD O14764 1/20 0.40
GABRA1 P14867 1/20 0.40
GABRB1 P18505 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
GABRA2 P47869 1/20 0.40
GABRB2 P47870 1/20 0.40
GABRA4 P48169 1/20 0.40
GABRE P78334 1/20 0.40
GABRA6 Q16445 1/20 0.40
GABRG1 Q8N1C3 1/20 0.40
GABRG3 Q99928 1/20 0.40
GABRQ Q9UN88 1/20 0.40

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
SCHEMBL9124178 0.76 GABRP (0.54) GAAKMT2AMEN1USP2GABRP
SCHEMBL3589097 0.71 GABRA1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3589100 0.71 GABRA1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL7818438 0.70 GABRA1 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
Hydrochloric Acid SCHEMBL7819286 0.68 GABRP (0.44) KMT2AMEN1GABRPGABRDGABRA1
SCHEMBL9008871 0.68 GABRA1 (0.52) GAAKMT2AMEN1USP2GABRP
SCHEMBL4852201 0.64 GABRP (0.49) KMT2AGABRPGABRDGABRA1GABRB1
SCHEMBL3287479 0.63 GABRP (0.67) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL397811 0.63 KMT2A (1.00) GAAKMT2AMEN1USP2ALDH1A1
SCHEMBL14372140 0.63 KDM4E (0.62) 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
EP-0730455-A4 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO INC (US) 1998-02-04 EP disclosed
EP-0730455-A1 ANTIARRHYTHMIC BENZODIAZEPINES MERCK & CO. INC. (US) 1996-09-11 EP disclosed