SCHEMBL27686604

SCHEMBL27686604

Fc1cc(-c2ccc(-c3ccc(-c4ccc(-c5cc[c]cc5)cc4)cc3)c(F)c2)ccc1-c1ccc(-c2ccccc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
PTGS1 P23219 3/20 0.41
LMNA P02545 3/20 0.41
MAPT P10636 3/20 0.41
PTGS2 P35354 2/20 0.41
FABP2 P12104 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C4 P17516 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2C P28335 1/20 0.41
DRD3 P35462 1/20 0.41
AKR1C3 P42330 1/20 0.41
AKR1C2 P52895 1/20 0.41
AKR1C1 Q04828 1/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 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
SCHEMBL7470617 1.00 MEN1 (0.41) MEN1KMT2APTGS1LMNAMAPT
SCHEMBL2140807 0.88 PTGS1 (0.49) MEN1KMT2APTGS1LMNAMAPT
SCHEMBL15077185 0.88 PTGS1 (0.49) MEN1KMT2APTGS1LMNAMAPT
SCHEMBL28566500 0.88 PTGS1 (0.49) MEN1KMT2APTGS1LMNAMAPT
SCHEMBL19308531 0.86 FEN1 (0.50) MEN1KMT2APTGS1LMNAMAPT
SCHEMBL19400433 0.86 MEN1 (0.50) MEN1KMT2APTGS1LMNAMAPT
SCHEMBL18952591 0.84 ALOX5 (0.37) CYP1A2CYP11B1CYP11B2DHODH
SCHEMBL18716177 0.82 CYP2C9 (0.47) MEN1KMT2APTGS1LMNAMAPT
SCHEMBL19308543 0.82 PTPRC (0.52) MEN1KMT2APTGS1LMNAMAPT
SCHEMBL20663902 0.82 MEN1 (0.48) MEN1KMT2APTGS1LMNAMAPT

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
CN-1950342-A Novel compounds as opioid receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2007-04-18 CN disclosed