SCHEMBL23988720

SCHEMBL23988720

CCCCCN(CCC)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.47
SLC6A4 P31645 7/20 0.47
NOS2 P35228 2/20 0.43
NOS3 P29474 1/20 0.42
NOS1 P29475 1/20 0.42
GNAI3 P08754 6/20 0.41
GNAO1 P09471 6/20 0.41
GNAI1 P63096 6/20 0.41
SLC6A3 Q01959 1/20 0.39
ADH1C P00326 1/20 0.38
ADH1A P07327 1/20 0.38
ADH4 P08319 1/20 0.38
DRD3 P35462 2/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL27534430 0.96 SLC6A2 (0.49) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL30859681 0.94 SLC6A2 (0.48) SLC6A2SLC6A4NOS2GNAI3GNAO1
SCHEMBL5868706 0.90 SLC6A2 (0.54) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL1206196 0.90 SLC6A2 (0.51) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL8851211 0.85 SLC6A4 (0.43) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL8851948 0.85 SLC6A2 (0.43) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL8851594 0.85 SLC6A2 (0.43) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL8852104 0.84 SLC6A2 (0.43) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL13885993 0.82 SLC6A2 (0.51) SLC6A2SLC6A4NOS2NOS3NOS1
SCHEMBL8851454 0.82 SLC6A2 (0.42) SLC6A2SLC6A4NOS2NOS3NOS1

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
WO-2021222875-A1 METHODS OF USING ALK2 INHIBITORS KEROS THERAPEUTICS, INC. (US) 2021-11-04 WO disclosed