SCHEMBL29960698

SCHEMBL29960698

O=C1Nc2ccsc2[C@H]2CN(Cc3ccccc3)C[C@H]12

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.42
FUCA1 P04066 2/20 0.39
CHRM2 P08172 1/20 0.38
CHRM3 P20309 1/20 0.38
S1PR5 Q9H228 2/20 0.38
S1PR1 P21453 1/20 0.38
DRD2 P14416 1/20 0.38
DRD3 P35462 1/20 0.38
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
EHMT2 Q96KQ7 1/20 0.37
UBE2M P61081 1/20 0.36
DCUN1D1 Q96GG9 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
SCHEMBL11031885 0.82 FUCA1 (0.51) RORCFUCA1S1PR5S1PR1DRD2
SCHEMBL583636 0.82 FUCA1 (0.51) RORCFUCA1S1PR5S1PR1DRD2
SCHEMBL1505186 0.82 FUCA1 (0.51) RORCFUCA1S1PR5S1PR1DRD2
SCHEMBL29961188 0.80 FUCA1 (0.42) RORCFUCA1CHRM2CHRM3S1PR5
SCHEMBL29960624 0.80 FUCA1 (0.42) RORCFUCA1CHRM2CHRM3S1PR5
SCHEMBL29960801 0.77 DRD2 (0.43) RORCFUCA1S1PR5S1PR1DRD2
SCHEMBL24535980 0.76 FUCA1 (0.51) RORCFUCA1S1PR5S1PR1DRD2
SCHEMBL12430143 0.73 DRD2 (0.46) DRD2ALDH1A1SIGMAR1
SCHEMBL12430140 0.71 DRD2 (0.46) DRD2ALDH1A1SIGMAR1
SCHEMBL1803424 0.71 DRD2 (0.40) FUCA1S1PR5S1PR1DRD2DRD3

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-2022204150-A1 COMPOUNDS AND COMPOSITIONS FOR TREATING CNS DISORDERS BLUE OAK PHARMACEUTICALS, INC. (US) 2022-09-29 WO disclosed