SCHEMBL7516894

SCHEMBL7516894

CC(=O)N1CCN(c2nc(N)ncc2Sc2ccc(Cl)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.55
ALDH1A1 P00352 2/20 0.47
LMNA P02545 1/20 0.47
ITGAL P20701 1/20 0.43
KDM4E B2RXH2 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRIA1 P42261 2/20 0.41
PI4KB Q9UBF8 1/20 0.41
NCF1 P14598 1/20 0.41
HPGD P15428 1/20 0.40
AKT1 P31749 2/20 0.40
ADK P55263 1/20 0.40
CLK1 P49759 1/20 0.40
CNR2 P34972 1/20 0.39
DHFR P00374 1/20 0.39
SMO Q99835 1/20 0.39
PTPN11 Q06124 1/20 0.39
CKS1B P61024 1/20 0.39
SKP1 P63208 1/20 0.39
SKP2 Q13309 1/20 0.39

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
SCHEMBL7508846 0.90 RXFP1 (0.44) RXFP1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL7519963 0.90 CKS1B (0.46) RXFP1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL7516678 0.89 RXFP1 (0.41) RXFP1ALDH1A1NCF1AKT1DHFR
SCHEMBL7519270 0.88 ALDH1A1 (0.42) RXFP1ALDH1A1LMNAKDM4ESMN1; SMN2
SCHEMBL7514338 0.88 RXFP1 (0.45) RXFP1ALDH1A1LMNAITGALKDM4E
SCHEMBL7514586 0.86 ITGAL (0.52) LMNAITGALSMN1; SMN2NCF1HPGD
SCHEMBL7518286 0.86 EIF2AK4 (0.46) RXFP1ALDH1A1LMNAITGALSMN1; SMN2
SCHEMBL7514841 0.85 CLK1 (0.42) RXFP1LMNAITGALKDM4EPI4KB
SCHEMBL7522989 0.84 CNR2 (0.44) NCF1CNR2DHFRSMOPTPN11
SCHEMBL7519326 0.84 ALDH1A1 (0.43) RXFP1ALDH1A1ITGALKDM4ESMN1; SMN2

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 disclosed
WO-2000059893-A1 NEUROTROPHIC THIO SUBSTITUTED PYRIMIDINES KRENITSKY PHARMACEUTICALS INC. (US) 2000-10-12 WO disclosed