SCHEMBL23329777

SCHEMBL23329777

Nc1cc(C(=O)O)cc(N2CCN(CCC3CCC3)CC2)n1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 6/20 0.42
▸ KDM4C Q9H3R0 1/20 0.39
▸ DRD3 P35462 5/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ CASP1 P29466 1/20 0.38
▸ CASP4 P49662 1/20 0.38
▸ CASP5 P51878 1/20 0.38
▸ HTR6 P50406 1/20 0.37
▸ HRH4 Q9H3N8 2/20 0.37
▸ GBA1 P04062 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ SIRT2 Q8IXJ6 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.36
▸ SIRT3 Q9NTG7 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
SCHEMBL23329690 0.88 CASP1 (0.50) DRD2KDM4CDRD3CASP1CASP4
SCHEMBL23329405 0.77 KDM4E (0.49) HRH4
SCHEMBL23330166 0.72 NCF1 (0.52) HRH4GBA1
SCHEMBL23330165 0.72 CKS1B (0.48) HRH4GBA1
SCHEMBL23329535 0.71 HRH3 (0.41) HRH4
SCHEMBL23304489 0.69 HRH4 (0.45) CHRM3HTR6HRH4
SCHEMBL22549339 0.67 HRH4 (0.59) CHRM3HTR6HRH4
SCHEMBL28345244 0.66 HRH4 (0.58) CHRM3HTR6HRH4
Isophthalic Acid SCHEMBL27810433 0.65 KDM4C (0.51) DRD2KDM4CDRD3CHRM3
SCHEMBL19527482 0.64 DRD2 (0.52) DRD2DRD3CASP1CASP4CASP5

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
Send feedback