SCHEMBL25201244

SCHEMBL25201244

O=C(NC1CCN(Cc2ccccc2)CC1)c1csc(-c2c[nH]nc2-c2ccccc2)n1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKAA2 P54646 7/20 0.52
PRKAB2 O43741 2/20 0.52
PRKAG1 P54619 2/20 0.52
PRKAA1 Q13131 2/20 0.52
PRKAG3 Q9UGI9 2/20 0.52
PRKAG2 Q9UGJ0 2/20 0.52
PRKAB1 Q9Y478 2/20 0.52
DRD4 P21917 3/20 0.50
DRD2 P14416 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A12 P48065 2/20 0.48
ACKR3 P25106 2/20 0.48
HTR3E A5X5Y0 1/20 0.48
HTR3B O95264 1/20 0.48
CHRNA7 P36544 1/20 0.48
HTR3A P46098 1/20 0.48
HTR3D Q70Z44 1/20 0.48
HTR3C Q8WXA8 1/20 0.48
KCNH2 Q12809 1/20 0.48
SLC6A13 Q9NSD5 1/20 0.48

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
SCHEMBL25187050 0.95 DRD2 (0.54) DRD4DRD2ACKR3HTR3EHTR3B
SCHEMBL25187641 0.90 HPGDS (0.49) ACKR3HTR3EHTR3BCHRNA7HTR3A
SCHEMBL25194856 0.87 DCLK1 (0.49) PRKAA1ACKR3HTR3EHTR3BCHRNA7
SCHEMBL25193312 0.84 HTR3E (0.46) PRKAA1ACKR3HTR3EHTR3BCHRNA7
SCHEMBL25203120 0.84 TLR9 (0.51) ACKR3HTR3EHTR3BCHRNA7HTR3A
SCHEMBL25187069 0.84 HRH2 (0.44) ACKR3HTR3EHTR3BCHRNA7HTR3A
SCHEMBL25187486 0.82 PRKAA2 (0.46) PRKAA2ACKR3
SCHEMBL25192994 0.82 HRH2 (0.54) ACKR3
SCHEMBL25187055 0.81 TLR9 (0.43) ACKR3HTR3EHTR3BCHRNA7HTR3A
SCHEMBL25187465 0.81 MEN1 (0.43) ACKR3

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-2023089052-A1 AUTOPHAGY INDUCING COMPOUNDS AND USES THEREOF, IN PARTICULAR FOR DISEASES OF THE CNS Samsara Therapeutics Inc. (US) 2023-05-25 WO claimed