SCHEMBL7065597

SCHEMBL7065597

CCNCCC[C@H](OCc1ccccc1)C(N=C=O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A2 P43004 3/20 0.38
SLC1A1 P43005 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
SLC1A3 P43003 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
KDM4E B2RXH2 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 2/20 0.33
LMNA P02545 1/20 0.33
CTSL P07711 1/20 0.33
CTSS P25774 1/20 0.33
CCR6 P51684 1/20 0.33
PAX8 Q06710 1/20 0.33
HTT P42858 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
RAB9A P51151 2/20 0.32

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
SCHEMBL7819092 0.78 SLC1A3 (0.43) SLC1A2SLC1A1MEN1KMT2ASLC1A3
SCHEMBL2269233 0.71 SLC1A3 (0.49) SLC1A2SLC1A1MEN1KMT2ASLC1A3
SCHEMBL7821068 0.71 SLC1A1 (0.43) SLC1A2SLC1A1MEN1KMT2ASLC1A3
SCHEMBL7821232 0.66 CYP1A2 (0.39) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL7808946 0.66 CYP1A2 (0.39) MEN1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL7419397 0.66 CASP1 (0.48) SLC1A2SLC1A1MEN1KMT2ASLC1A3
SCHEMBL4829905 0.66 SLC1A3 (0.40) SLC1A2SLC1A1MEN1KMT2ASLC1A3
SCHEMBL9254953 0.65 SLC1A2 (0.61) SLC1A2SLC1A1MEN1KMT2ASLC1A3
SCHEMBL13173217 0.65 SLC1A2 (0.61) SLC1A2SLC1A1MEN1KMT2ASLC1A3
SCHEMBL10126136 0.65 SLC1A2 (0.61) SLC1A2SLC1A1MEN1KMT2ASLC1A3

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
US-6617332-B1 Cyclic amidinourea derivatives BAYER AKTIENGESELLSCHAFT (DE) 2003-09-09 US disclosed