SCHEMBL7520253

SCHEMBL7520253

CC(C)[C@H](N)C(=O)O[C@H]1CC[C@H](Nc2nc(N)ncc2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.44
SYK P43405 3/20 0.34
MAPK8 P45983 2/20 0.34
MAPK9 P45984 1/20 0.34
HTR1A P08908 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
KDM4E B2RXH2 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL7513830 0.87 RXFP1 (0.49) RXFP1SYKMAPK8MAPK9HTR1A
SCHEMBL7521012 0.85 RXFP1 (0.47) RXFP1SYKHTR1ADRD2DRD4
SCHEMBL7524053 0.85 RXFP1 (0.47) RXFP1SYKMAPK8HTR1ADRD2
SCHEMBL7514857 0.84 RXFP1 (0.46) RXFP1SYKHTR1ADRD2DRD4
SCHEMBL7514853 0.84 RXFP1 (0.46) RXFP1SYKHTR1ADRD2DRD4
SCHEMBL7510904 0.79 RXFP1 (0.51) RXFP1SYKMAPK8MAPK9HTR1A
SCHEMBL7510908 0.79 RXFP1 (0.51) RXFP1SYKMAPK8MAPK9HTR1A
SCHEMBL7515467 0.76 RXFP1 (0.48) RXFP1SYKHTR1ADRD2DRD4
SCHEMBL7515471 0.76 RXFP1 (0.48) RXFP1SYKHTR1ADRD2DRD4
SCHEMBL7513913 0.75 RXFP1 (0.49) RXFP1SYKMAPK8MAPK9HTR1A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1165522-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES Krenitsky Pharmaceuticals, Inc. (US) 2002-01-02 EP claimed
WO-2000059893-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-12 WO claimed