SCHEMBL25323296

SCHEMBL25323296

C[C@H]1CCC(c2cccc(F)c2)N(N2C[C@@H](C)CCC2c2cccc(F)c2)C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.44
MAOB P27338 2/20 0.43
MAOA P21397 1/20 0.43
SLC6A2 P23975 2/20 0.39
SLC6A4 P31645 2/20 0.39
SLC6A3 Q01959 2/20 0.39
KDM1A O60341 1/20 0.37
RCOR1 Q9UKL0 1/20 0.37
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
PDE5A O76074 1/20 0.36
NR3C2 P08235 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
DRD4 P21917 1/20 0.35
PIK3C3 Q8NEB9 2/20 0.35
SLC6A9 P48067 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
SCHEMBL25322450 0.77 RIPK1 (0.50) RIPK1
SCHEMBL25917618 0.77 RIPK1 (0.50) RIPK1
SCHEMBL25322454 0.77 RIPK1 (0.50) RIPK1
SCHEMBL10091151 0.74 ESR2 (0.46) RIPK1KDM1ARCOR1HTR2AHTR2C
SCHEMBL27273287 0.74 ESR2 (0.46) RIPK1KDM1ARCOR1HTR2AHTR2C
SCHEMBL4294410 0.71 RIPK1 (0.50) RIPK1MAOBMAOAALDH1A1
SCHEMBL10091161 0.70 ESR2 (0.42) RIPK1KDM1ARCOR1HTR2AHTR2C
SCHEMBL20843446 0.70 MAOB (0.45) RIPK1MAOBMAOASLC6A2SLC6A4
SCHEMBL21859861 0.69 CHRNB2 (0.64) RIPK1ALDH1A1
SCHEMBL20703257 0.69 RIPK1 (0.58) RIPK1MAOBMAOAHTR2AHTR2C

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-2023146990-A1 COMPOUNDS AND METHODS OF USE TANGO THERAPEUTICS, INC. (US) 2023-08-03 WO disclosed