SCHEMBL8661014

SCHEMBL8661014

COc1ccccc1C(OCC1CC(O)CN1Cc1ccccc1)(c1ccccc1)c1ccccc1OC

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.38
LMNA P02545 1/20 0.37
SIGMAR1 Q99720 2/20 0.36
HTR1A P08908 2/20 0.35
DRD4 P21917 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
POLB P06746 1/20 0.34

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
SCHEMBL8661019 0.91 LMNA (0.38) MAPTLMNASIGMAR1HTR1A
SCHEMBL6858148 0.83 ITGA4 (0.39) LMNAMEN1KMT2A
SCHEMBL8661002 0.83 TP53 (0.33) MAPTCHRM3MEN1KMT2A
SCHEMBL8659948 0.82 TSHR (0.35) MEN1KMT2APOLB
SCHEMBL8660410 0.81 POLB (0.44) MAPTLMNAMEN1KMT2APOLB
SCHEMBL8660375 0.81 SLC6A1 (0.36) CHRM3MEN1KMT2APOLB
SCHEMBL8662709 0.80 MTNR1B (0.37) LMNAMEN1KMT2APOLB
SCHEMBL8661342 0.80 ALDH1A1 (0.35) LMNAMEN1KMT2APOLB
SCHEMBL8662093 0.80 PIK3CD (0.35) MEN1KMT2APOLB
SCHEMBL8661541 0.79 SLC6A1 (0.34) LMNAMEN1KMT2APOLB

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5714606-A OLIGONUCLEOTIDE HAVING RECEPTOR BINDING SITES; ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS, MEDICAL DIAGNOSIS ISIS PHARMACEUTICALS, INC. (US) 1998-02-03 US disclosed
EP-0739335-A4 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS INC (US) 1997-04-02 EP disclosed
EP-0739335-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1996-10-30 EP disclosed
WO-1995018792-A1 PYRROLIDINE-CONTAINING MONOMERS AND OLIGOMERS ISIS PHARMACEUTICALS, INC. (US) 1995-07-13 WO disclosed