SCHEMBL10508461

SCHEMBL10508461

O=C1Nc2ccc(Cl)cc2C(c2ccc(Cl)cc2)=NC12CCNCC2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.46
NTSR1 P30989 1/20 0.46
OPRK1 P41145 1/20 0.46
PDE4D Q08499 1/20 0.46
LMNA P02545 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALB P02768 1/20 0.44
CHRM1 P11229 3/20 0.42
MAPT P10636 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
GABRP O00591 2/20 0.40
GABRD O14764 2/20 0.40
GABRA1 P14867 2/20 0.40
GABRB1 P18505 2/20 0.40
GABRG2 P18507 2/20 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
Hydrochloric Acid SCHEMBL10510329 0.98 CNR1 (0.44) CNR1NTSR1OPRK1PDE4DLMNA
SCHEMBL10508794 0.93 CNR1 (0.43) CNR1NTSR1OPRK1PDE4DLMNA
SCHEMBL10508854 0.93 CNR1 (0.43) CNR1NTSR1OPRK1PDE4DLMNA
SCHEMBL10509580 0.93 CNR1 (0.56) CNR1NTSR1OPRK1PDE4DLMNA
SCHEMBL10510733 0.92 CNR1 (0.44) CNR1NTSR1OPRK1PDE4DLMNA
SCHEMBL10511239 0.91 CNR1 (0.41) CNR1NTSR1OPRK1PDE4DLMNA
SCHEMBL10510381 0.90 ADAMTS5 (0.44) CNR1NTSR1OPRK1PDE4DLMNA
SCHEMBL10512136 0.90 CNR1 (0.41) CNR1NTSR1OPRK1PDE4DLMNA
SCHEMBL10508456 0.90 CNR1 (0.41) CNR1NTSR1OPRK1PDE4DLMNA
SCHEMBL10510483 0.89 PDE4D (0.42) CNR1NTSR1OPRK1PDE4DLMNA

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 3 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
EP-0172526-A1 Benzodiazepines, process for their preparation and their use Troponwerke GmbH & Co. KG (DE) 1986-02-26 EP disclosed