SCHEMBL23329690

SCHEMBL23329690

Nc1cc(C(=O)O)cc(N2CCN(CC3CCC3)CC2)n1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CASP1 P29466 2/20 0.50
▸ CASP4 P49662 2/20 0.50
▸ CASP5 P51878 2/20 0.50
▸ PPARG P37231 1/20 0.41
▸ LRRK2 Q5S007 1/20 0.38
▸ KDM4C Q9H3R0 1/20 0.37
▸ HTR6 P50406 1/20 0.36
▸ HRH4 Q9H3N8 2/20 0.36
▸ TRPC5 Q9UL62 1/20 0.36
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ DRD2 P14416 1/20 0.35
▸ DRD3 P35462 1/20 0.35
▸ PARP1 P09874 1/20 0.35

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
SCHEMBL23329777 0.88 DRD2 (0.42) CASP1CASP4CASP5KDM4CHTR6
SCHEMBL23329405 0.79 KDM4E (0.49) HRH4PARP1
SCHEMBL23330166 0.74 NCF1 (0.52) HRH4
SCHEMBL23330165 0.73 CKS1B (0.48) HRH4
SCHEMBL23329535 0.73 HRH3 (0.41) HRH4
SCHEMBL23304489 0.71 HRH4 (0.45) HTR6HRH4
SCHEMBL6232666 0.70 USP2 (0.55) DRD2DRD3
SCHEMBL1742433 0.68 SCD (0.52) —
SCHEMBL27793057 0.66 BCL2L1 (0.45) CASP1CASP4CASP5KDM4C
SCHEMBL23304390 0.66 CHRM3 (0.54) HTR6HRH4

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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