SCHEMBL6675481

SCHEMBL6675481

CCc1ccccc1N1CCN(C(=Nc2cc(CO)c(CC)nc2OC)NO)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.35
LMNA P02545 3/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 2/20 0.35
USP2 O75604 1/20 0.35
HTT P42858 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TACR3 P29371 1/20 0.34
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
PKM P14618 1/20 0.33
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
KDM4C Q9H3R0 1/20 0.33

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
SCHEMBL6678709 0.92 DRD2 (0.35) HTR7LMNAMAPTUSP2HTT
SCHEMBL6678795 0.88 PKM (0.37) HTR7LMNAMAPTALDH1A1USP2
SCHEMBL6673420 0.87 KMT2A (0.36) HTR7LMNAMAPTALDH1A1USP2
SCHEMBL6671882 0.86 PHGDH (0.37) LMNAMAPTL3MBTL1TSHRKMT2A
SCHEMBL6679250 0.85 DHFR (0.36) LMNAMAPTALDH1A1NPC1
SCHEMBL6673060 0.85 PHGDH (0.36) MAPTALDH1A1KMT2A
SCHEMBL6687934 0.84 PHGDH (0.34) LMNAKMT2APKM
SCHEMBL7057399 0.84 SUV39H2 (0.30)
SCHEMBL6678191 0.83 HTT (0.31) HTT
SCHEMBL6675013 0.83 DRD2 (0.35) MAPTALDH1A1HTTKMT2ADRD2

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-1482931-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE Transtech Pharma, Inc. (US) 2004-12-08 EP disclosed
WO-2003075921-A2 MONO- AND BICYCLIC AZOLE DERIVATIVES THAT INHIBIT THE INTERACTION OF LIGANDS WITH RAGE TRANSTECH PHARMA, INC. (US) 2003-09-18 WO disclosed