SCHEMBL25815487

SCHEMBL25815487

CCc1ccc(N2CCN(CCOC(C)C)CC2)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.45
SLC6A3 Q01959 7/20 0.45
SLC6A4 P31645 6/20 0.45
MAPT P10636 1/20 0.42
PARP1 P09874 1/20 0.39
KCNH2 Q12809 1/20 0.39
ADRA1D P25100 3/20 0.39
ADRA1A P35348 3/20 0.39
ADRA1B P35368 3/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL25815173 0.89 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4MAPTADRA1D
SCHEMBL20365781 0.86 SLC6A2 (0.53) SLC6A2SLC6A3SLC6A4ADRA1DADRA1A
SCHEMBL20363922 0.85 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4MAPTKCNH2
SCHEMBL23710929 0.83 PARP1 (0.44) PARP1KCNH2ADRA1DADRA1AADRA1B
SCHEMBL25815151 0.80 KDM4E (0.44) MAPTPARP1KCNH2ADRA1DADRA1A
SCHEMBL18052715 0.80 ALDH1A1 (0.48) MAPTPARP1KCNH2ALDH1A1SMN1; SMN2
SCHEMBL10268271 0.78 MAPT (0.41) MAPTPARP1KCNH2KDM4EALDH1A1
SCHEMBL8427926 0.78 ALDH1A1 (0.49) MAPTPARP1KCNH2KDM4EALDH1A1
SCHEMBL8373055 0.75 MAPT (0.56) MAPTALDH1A1SMN1; SMN2
SCHEMBL10264296 0.74 PARP1 (0.42) MAPTPARP1KCNH2ALDH1A1SMN1; SMN2

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-2023129506-A1 POTENT AND SELECTIVE SMARCA2 DEGRADING CHIMERIC MOLECULES AS CANCER THERAPEUTICS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2023-07-06 WO disclosed