SCHEMBL6468967

SCHEMBL6468967

COc1ccc(OC)c(-c2cc(C(=O)NCC3CC3)c(C)n2CC2CCCCC2)c1.COc1ccc(OC)c(-c2cc(C(=O)O)c(C)n2CC2CCCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.51
HTR4 Q13639 3/20 0.43
ACHE P22303 2/20 0.43
TDP1 Q9NUW8 1/20 0.42
PDE10A Q9Y233 2/20 0.42
NOTUM Q6P988 1/20 0.42
PLA2G2A P14555 1/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 2/20 0.42
LMNA P02545 1/20 0.42
CRHBP P24387 1/20 0.42
CRHR2 Q13324 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CNR1 P21554 1/20 0.41
HTR2A P28223 3/20 0.40
HTR2C P28335 3/20 0.40
SLC6A4 P31645 3/20 0.40

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
SCHEMBL3919700 0.96 POLB (0.54) POLBHTR4ACHETDP1PDE10A
SCHEMBL13717119 0.92 HTR4 (0.50) POLBHTR4ACHETDP1PDE10A
SCHEMBL3919213 0.91 PLA2G2A (0.48) POLBNOTUMPLA2G2AALDH1A1MAPT
SCHEMBL13716928 0.87 ALDH1A1 (0.49) POLBPLA2G2AALDH1A1MAPTMEN1
SCHEMBL13716929 0.87 ALDH1A1 (0.45) POLBPLA2G2AALDH1A1MAPTMEN1
SCHEMBL3919099 0.86 MEN1 (0.47) POLBHTR4ACHEMAPTMEN1
SCHEMBL13716872 0.85 CNR1 (0.46) POLBPLA2G2AALDH1A1MAPTMEN1
SCHEMBL3921491 0.85 ALDH1A1 (0.47) POLBPLA2G2AALDH1A1MAPTMEN1
SCHEMBL13717054 0.85 ALDH1A1 (0.46) POLBPLA2G2AALDH1A1MAPTMEN1
SCHEMBL13716656 0.85 DRD2 (0.56) MAPTLMNASLC6A4DRD2DRD4

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-1583742-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2005-10-12 EP claimed
WO-2004060870-A1 NOVEL CB 1 RECEPTOUR INVERSE AGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2004-07-22 WO claimed