SCHEMBL21301460

SCHEMBL21301460

CCCN1CCN(c2ccc3cc(-c4cc5cnc(C)cn5c4)c(=O)oc3c2)CC1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.40
DRD3 P35462 2/20 0.40
ALK Q9UM73 1/20 0.36
DRD4 P21917 5/20 0.36
CACNA1G O43497 2/20 0.35
SLC16A3 O15427 1/20 0.34

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
SCHEMBL15066801 0.93 ADORA2A (0.38) DRD2DRD3ALKDRD4SLC16A3
SCHEMBL15065855 0.92 RXFP1 (0.40) DRD2DRD3ALKDRD4SLC16A3
SCHEMBL15069127 0.90 ALK (0.38) DRD2DRD3ALKSLC16A3
SCHEMBL15068774 0.90 ADORA2A (0.38) DRD2DRD3ALKDRD4SLC16A3
SCHEMBL15068777 0.86 ADORA2A (0.39) DRD2DRD3ALKSLC16A3
SCHEMBL15068560 0.86 ACVR1 (0.40) ALKSLC16A3
SCHEMBL15069031 0.85 ALK (0.37) ALKSLC16A3
SCHEMBL15068834 0.83 CHRNB2 (0.39) ALKSLC16A3
SCHEMBL15068519 0.82 ALK (0.35) ALKSLC16A3
SCHEMBL15068713 0.82 ACVR1 (0.36) ALKSLC16A3

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-2797592-B1 COMPOUNDS FOR TREATING SPINAL MUSCULAR ATROPHY PTC THERAPEUTICS INC (US) 2019-08-28 EP disclosed