SCHEMBL21301464

SCHEMBL21301464

CCCCN1CCN(c2ccc3cc(-c4cc5c(C)nc(C)cn5c4)c(=O)oc3c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 7/20 0.41
DRD3 P35462 4/20 0.41
ALK Q9UM73 1/20 0.37
PLA2G2A P14555 3/20 0.35
CACNA1G O43497 2/20 0.35
DRD4 P21917 3/20 0.35
HTR6 P50406 1/20 0.35

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
SCHEMBL15069183 0.91 ALK (0.39) DRD2DRD3ALKDRD4
SCHEMBL15068825 0.90 RXFP1 (0.40) DRD2DRD3ALKDRD4
SCHEMBL15068908 0.88 ALK (0.40) DRD2DRD3ALK
SCHEMBL15068492 0.88 ADORA2A (0.38) DRD2DRD3ALKDRD4
SCHEMBL15067286 0.85 ADORA2A (0.39) ALK
SCHEMBL15068763 0.85 ALK (0.40) ALKHTR6
SCHEMBL15068722 0.84 ALK (0.39) ALK
SCHEMBL15069124 0.83 ALK (0.38) ALK
SCHEMBL15068585 0.82 ALK (0.39) ALKHTR6
SCHEMBL15068916 0.82 ALK (0.37) ALKHTR6

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