SCHEMBL9824236

SCHEMBL9824236

CCN(CC)C(=O)CCC1CCNCC1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.45
ITGB3 P05106 9/20 0.42
ITGA2B P08514 9/20 0.42
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
F2R P25116 1/20 0.37
HTR4 Q13639 1/20 0.36
GBA1 P04062 2/20 0.36
OPRD1 P41143 1/20 0.36
FAAH O00519 1/20 0.35
SLC6A1 P30531 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRB2 P47870 1/20 0.35
SLC6A12 P48065 1/20 0.35
SLC6A11 P48066 1/20 0.35
SLC6A13 Q9NSD5 1/20 0.35

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
SCHEMBL8496044 0.81 LMNA (0.48) LMNAITGB3ITGA2B
SCHEMBL7470707 0.81 ITGB3 (0.41) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL9824197 0.79 GNAI3 (0.39) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL8070099 0.76 HTR4 (0.40) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL11843874 0.76 CHRM3 (0.37) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL3597232 0.75 TDP1 (0.44) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL3059912 0.75 GNAI3 (0.44) ITGB3ITGA2BGNAI3GNAO1GNAI1
SCHEMBL8851419 0.75 GNAI3 (0.46) LMNAITGB3ITGA2BGNAI3GNAO1
SCHEMBL8851330 0.75 LMNA (0.46) LMNAITGB3ITGA2BGNAI3GNAO1
SCHEMBL28193899 0.74 GNAO1 (0.39) ITGB3ITGA2BGNAI3GNAO1GNAI1

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-0273239-B1 CONDENSED DIAZEPINONES, PROCESSES FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Dr. Karl Thomae GmbH (DE) 1991-03-06 EP disclosed
EP-0273239-A1 Condensed diazepinones, processes for their preparation and medicaments containing them Dr. Karl Thomae GmbH (DE) 1988-07-06 EP disclosed