SCHEMBL18634604

SCHEMBL18634604

CC1=CN(C)C(C)c2cc(CCc3nc4c(ccc5ncccc54)[nH]3)nn21

nearest known ligand 0.57

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 12/20 0.57
CYP2C9 P11712 1/20 0.36
NOS1 P29475 1/20 0.36
NOS2 P35228 1/20 0.36
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
LMNA P02545 1/20 0.32
POLB P06746 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL10309545 0.73 PDE10A (1.00) PDE10ACYP2C9NOS1NOS2SMN1; SMN2
SCHEMBL15038167 0.70 PDE10A (0.59) PDE10ACYP2C9NOS1NOS2SMN1; SMN2
SCHEMBL15038168 0.69 PDE10A (0.54) PDE10ACYP2C9NOS1NOS2SMN1; SMN2
SCHEMBL7458054 0.69 PDE10A (0.62) PDE10ALMNA
SCHEMBL7514548 0.68 PDE10A (0.61) PDE10ACYP2C9NOS1NOS2BRD4
SCHEMBL10345170 0.67 PDE10A (0.58) PDE10ACYP2C9NOS1NOS2BRD4
SCHEMBL10309548 0.67 PDE10A (0.70) PDE10A
SCHEMBL18634778 0.66 PDE10A (0.47) PDE10ACYP2C9NOS1NOS2SMN1; SMN2
SCHEMBL18634725 0.64 PDE10A (0.45) PDE10ASMN1; SMN2LMNA
SCHEMBL18634584 0.64 PDE10A (0.45) PDE10ASMN1; SMN2LMNA

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2663565-B1 HETEROARYL COMPOUNDS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC (US) 2017-03-15 EP disclosed