SCHEMBL7978299

SCHEMBL7978299

COc1cc(N[C@@H]2CCC[C@H](N)C2)nc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.62
LMNA P02545 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
KDM4E B2RXH2 1/20 0.54
SLC2A1 P11166 1/20 0.46
PDGFRB P09619 3/20 0.46
PDGFRA P16234 3/20 0.46
ALOX15 P16050 1/20 0.43
HPGD P15428 1/20 0.42
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
HSD17B10 Q99714 1/20 0.41
CLK4 Q9HAZ1 1/20 0.41
MEN1 O00255 1/20 0.41
HSP90AA1 P07900 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7978307 1.00 MCHR1 (0.62) MCHR1LMNASMN1; SMN2KDM4ESLC2A1
SCHEMBL7978296 1.00 MCHR1 (0.62) MCHR1LMNASMN1; SMN2KDM4ESLC2A1
SCHEMBL5943477 0.85 KDM4E (0.74) MCHR1LMNASMN1; SMN2KDM4EHPGD
SCHEMBL5780729 0.81 MCHR1 (0.62) MCHR1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL5943481 0.78 MCHR1 (0.62) MCHR1LMNASMN1; SMN2KDM4E
SCHEMBL5436995 0.77 SMN1; SMN2 (0.49) MCHR1LMNASMN1; SMN2KDM4EKMT2A
SCHEMBL5440300 0.76 MCHR1 (0.64) MCHR1LMNASMN1; SMN2KDM4E
SCHEMBL5943465 0.75 MCHR1 (0.56) MCHR1LMNASMN1; SMN2KDM4E
SCHEMBL5463162 0.74 PTPN11 (0.49) LMNASMN1; SMN2KDM4EHPGDCYP1A2
SCHEMBL5463167 0.74 PTPN11 (0.49) LMNASMN1; SMN2KDM4EHPGDCYP1A2

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-6320051-B1 AMINO(NH) OR OXYGEN(O) SUBSTITUTED, ENZYME INHIBITORS OF STAPHLOCCOCUS AUREUS METHIONYL T-RNA SYNTHETASE (MRS); ANTIBACTERIAL AGENTS SMITHKLINE BEECHAM PLC (GB) 2001-11-20 US disclosed