SCHEMBL10512136

SCHEMBL10512136

CCc1ccc(C2=NC3(CCNCC3)C(=O)Nc3ccc(Cl)cc32)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.41
NTSR1 P30989 1/20 0.41
OPRK1 P41145 1/20 0.41
PDE4D Q08499 1/20 0.41
CHRM1 P11229 4/20 0.41
CCKBR P32239 2/20 0.40
CBX7 O95931 1/20 0.40
CDYL2 Q8N8U2 1/20 0.40
CDYL Q9Y232 1/20 0.40
CDY1; CDY1B Q9Y6F8 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
ALB P02768 1/20 0.39
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CNR2 P34972 3/20 0.37

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
SCHEMBL10508461 0.90 CNR1 (0.46) CNR1NTSR1OPRK1PDE4DCHRM1
SCHEMBL10508794 0.88 CNR1 (0.43) CNR1NTSR1OPRK1PDE4DCHRM1
Hydrochloric Acid SCHEMBL10510329 0.88 CNR1 (0.44) CNR1NTSR1OPRK1PDE4DCHRM1
SCHEMBL10508854 0.86 CNR1 (0.43) CNR1NTSR1OPRK1PDE4DCHRM1
SCHEMBL10509580 0.85 CNR1 (0.56) CNR1NTSR1OPRK1PDE4DCHRM1
SCHEMBL10510381 0.85 ADAMTS5 (0.44) CNR1NTSR1OPRK1PDE4DCHRM1
SCHEMBL10510733 0.84 CNR1 (0.44) CNR1NTSR1OPRK1PDE4DCHRM1
SCHEMBL10511239 0.84 CNR1 (0.41) CNR1NTSR1OPRK1PDE4DCHRM1
SCHEMBL10508456 0.83 CNR1 (0.41) CNR1NTSR1OPRK1PDE4DCHRM1
SCHEMBL10510483 0.82 PDE4D (0.42) CNR1NTSR1OPRK1PDE4DCHRM1

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