SCHEMBL30219763

SCHEMBL30219763

Cc1ccc(NCCC(c2cccc(N)c2)C(C)C)cc1Cl

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 4/20 0.44
▸ CYP2D6 P10635 3/20 0.44
▸ SLC6A2 P23975 3/20 0.44
▸ SLC6A4 P31645 3/20 0.44
▸ SLC6A3 Q01959 3/20 0.44
▸ KCNH2 Q12809 2/20 0.44
▸ ALDH1A1 P00352 7/20 0.43
▸ MAPT P10636 5/20 0.43
▸ AGTR1 P30556 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ GAA P10253 1/20 0.39
▸ ICMT O60725 2/20 0.38
▸ EPHX2 P34913 1/20 0.36
▸ DRD2 P14416 1/20 0.35
▸ DRD4 P21917 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ KDM4E B2RXH2 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
SCHEMBL24046535 1.00 CYP3A4 (0.44) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL24046638 0.78 ALDH1A1 (0.49) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL30219770 0.78 ALDH1A1 (0.49) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL30219722 0.72 ALDH1A1 (0.43) CYP3A4ALDH1A1MAPTAGTR1SMN1; SMN2
SCHEMBL24046641 0.72 ALDH1A1 (0.43) CYP3A4ALDH1A1MAPTAGTR1SMN1; SMN2
SCHEMBL24495130 0.70 ALDH1A1 (0.56) CYP3A4CYP2D6ALDH1A1MAPTSMN1; SMN2
SCHEMBL15928754 0.68 MAPT (0.44) CYP3A4CYP2D6ALDH1A1MAPTSMN1; SMN2
SCHEMBL25695773 0.65 CYP3A4 (0.39) CYP3A4CYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL2522557 0.65 ALDH1A1 (0.52) ALDH1A1MAPTAGTR1SMN1; SMN2GAA
SCHEMBL11343092 0.65 ABL1 (0.55) ALDH1A1MAPTAGTR1SMN1; SMN2GAA

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-4153175-A1 PIPERIDINE-2,6-DIONES AS SMALL MOLECULE DEGRADERS OF HELIOS AND METHODS OF USE Dana-Farber Cancer Institute, Inc. (US) 2023-03-29 — — EP disclosed
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