SCHEMBL10508564

SCHEMBL10508564

O=C1Nc2ccccc2C(c2ccc(Cl)cc2Cl)=NC12CCNCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.43
GABRD O14764 2/20 0.43
GABRA1 P14867 2/20 0.43
GABRB1 P18505 2/20 0.43
GABRG2 P18507 2/20 0.43
GABRB3 P28472 2/20 0.43
GABRA5 P31644 2/20 0.43
GABRA3 P34903 2/20 0.43
GABRA2 P47869 2/20 0.43
GABRB2 P47870 2/20 0.43
GABRA4 P48169 2/20 0.43
GABRE P78334 2/20 0.43
GABRA6 Q16445 2/20 0.43
GABRG1 Q8N1C3 2/20 0.43
GABRG3 Q99928 2/20 0.43
GABRQ Q9UN88 2/20 0.43
LMNA P02545 2/20 0.41
PGR P06401 1/20 0.41
CHEK1 O14757 1/20 0.41
CYP1A2 P05177 1/20 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
SCHEMBL10511361 0.91 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10509879 0.88 GABRA1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10509011 0.82 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10511515 0.82 LMNA (0.58) LMNAPGRCHRM5CHRM1
SCHEMBL10509256 0.81 GABRP (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10509580 0.80 CNR1 (0.56) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10511380 0.79 LMNA (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10507863 0.79 CCKBR (0.42) GABRA1GABRA5GABRA3GABRA2GABRB2
SCHEMBL13551796 0.79 CNR1 (0.41) CNR1CRBNMAPT
SCHEMBL10510434 0.79 GABRA1 (0.50) GABRA1GABRG2GABRB3GABRA5GABRA3

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-0172526-B1 BENZODIAZEPINES, PROCESS FOR THEIR PREPARATION AND THEIR USE Troponwerke GmbH & Co. KG (DE) 1989-10-04 EP disclosed
US-4647560-A COGNITION ACTIVATORS TROPONWERKE GMBH & CO. KG (DE) 1987-03-03 US disclosed