SCHEMBL23988770

SCHEMBL23988770

CCCCCN(CCC)C1CCN(C(C)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
PTBP1 P26599 1/20 0.45
DRD3 P35462 11/20 0.43
BCHE P06276 1/20 0.38
GNAI3 P08754 1/20 0.38
GNAO1 P09471 1/20 0.38
GNAI1 P63096 1/20 0.38
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 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
SCHEMBL19009679 0.78 ALDH1A1 (0.44) ALDH1A1LMNAPTBP1
SCHEMBL7965189 0.78 ALDH1A1 (0.41) ALDH1A1LMNAPTBP1DRD3GNAI3
SCHEMBL8140198 0.77 DRD3 (0.44) DRD3DRD2DRD4
SCHEMBL23507377 0.77 ALDH1A1 (0.43) ALDH1A1LMNAPTBP1DRD3
SCHEMBL30859666 0.76 HPGD (0.45) ALDH1A1
SCHEMBL15508594 0.74 DRD3 (0.44) DRD3DRD2DRD4
SCHEMBL24438350 0.72 DRD3 (0.46) DRD3DRD2DRD4
SCHEMBL13597080 0.71 GNAI3 (0.53) GNAI3GNAO1GNAI1
SCHEMBL3374356 0.71 DRD3 (0.44) DRD3DRD2DRD4
SCHEMBL26617906 0.71 ALDH1A1 (0.39) ALDH1A1LMNAPTBP1DRD3

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