SCHEMBL10339478

SCHEMBL10339478

O=C1CC2CC(=O)N(c3ccc(Cl)cc3)N=C2c2ccccc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
LMNA P02545 2/20 0.39

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
SCHEMBL10490312 0.85 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8607232 0.82 GABRP (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8580696 0.76 ALDH1A1 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8580740 0.75 GABRP (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10558290 0.74 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10558921 0.74 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10558285 0.74 GABRP (0.42) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7286210 0.74 GABRP (0.41) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7288991 0.72 GABRP (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL8114668 0.71 GABRP (0.41) 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
JP-2229193-A None JP disclosed
JP-H02229193-A BENZAZEPINE COMPOUND YOSHITOMI PHARMACEUT IND LTD 1990-09-11 JP disclosed