SCHEMBL6277372

SCHEMBL6277372

CCCC(Oc1cc(Cl)cc(Cl)c1)C(O)CO

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.35
HTR7 P34969 2/20 0.35
HTR6 P50406 2/20 0.35
HTR2A P28223 1/20 0.35
LMNA P02545 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRL1 P41146 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL4796860 1.00 DRD2 (0.35) DRD2HTR7HTR6HTR2ALMNA
SCHEMBL14081882 0.83 DRD2 (0.33) DRD2HTR7HTR6HTR2A
Hydrochloric Acid SCHEMBL4803329 0.82 DRD2 (0.33) DRD2HTR7HTR6HTR2A
SCHEMBL4804163 0.76 SMN1; SMN2 (0.46) LMNAMAPT
SCHEMBL8925965 0.70 DRD2 (0.39) DRD2HTR7HTR6HTR2AMAPT
SCHEMBL5154968 0.68 LMNA (0.44) LMNAMAPT
SCHEMBL5165760 0.67 DRD2 (0.42) DRD2HTR7HTR6HTR2AMAPT
SCHEMBL10359367 0.67 TSHR (0.38) DRD2HTR7HTR6HTR2AMAPT
SCHEMBL6689590 0.67 LMNA (0.43) LMNAMAPT
SCHEMBL2827397 0.66 MAPT (0.42) MAPT

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-1587782-A1 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPINEPHRINE REUPTAKE Eli Lilly and Company (US) 2005-10-26 EP disclosed
WO-2004043904-A1 3-ARYLOXY/THIO-3-SUBSTITUTED PROPANAMINES AND THEIR USE IN INHIBITING SEROTONIN AND NOREPHINEPHRINE REUPTAKE ELI LILLY AND COMPANY (US) 2004-05-27 WO disclosed