SCHEMBL23329535

SCHEMBL23329535

CC(C)N1CCN(c2cc(C(=O)O)cc(N)n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.41
▸ HRH4 Q9H3N8 6/20 0.40
▸ PTPN11 Q06124 1/20 0.40
▸ OGA O60502 1/20 0.39
▸ F12 P00748 4/20 0.37
▸ WNT1 P04628 1/20 0.36
▸ GSK3B P49841 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36
▸ PIK3CA P42336 1/20 0.36

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
SCHEMBL23304363 0.83 HRH3 (0.41) HRH3PTPN11OGAWNT1GSK3B
SCHEMBL23330166 0.82 NCF1 (0.52) HRH3HRH4PTPN11PIK3CA
SCHEMBL23329405 0.81 KDM4E (0.49) HRH4
SCHEMBL23330165 0.78 CKS1B (0.48) HRH3HRH4
SCHEMBL23304314 0.78 HRH4 (0.45) HRH3HRH4
SCHEMBL23329690 0.73 CASP1 (0.50) HRH4
SCHEMBL30109094 0.71 HRH3 (0.69) HRH3OGA
SCHEMBL23329777 0.71 DRD2 (0.42) HRH4
SCHEMBL22163216 0.70 HRH3 (0.56) HRH3PTPN11OGA
SCHEMBL25094874 0.69 PTPN11 (0.40) HRH3PTPN11F12

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-2021086879-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2021-05-06 — — WO disclosed
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