SCHEMBL7867765

SCHEMBL7867765

O=C(Oc1c(C2=CCN(Cc3ccccc3)CC2)n(S(=O)(=O)c2ccccc2)c2ccccc12)C(=O)Oc1c(C2=CCN(Cc3ccccc3)CC2)n(S(=O)(=O)c2ccccc2)c2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 8/20 0.57
HDAC4 P56524 1/20 0.43
DRD2 P14416 7/20 0.41
HTR1A P08908 1/20 0.41
HTR2A P28223 1/20 0.41
HTT P42858 1/20 0.41
DRD4 P21917 4/20 0.41
DRD3 P35462 4/20 0.41
NAMPT P43490 1/20 0.39
OPRM1 P35372 1/20 0.39
OPRK1 P41145 1/20 0.39
HTR7 P34969 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38

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
Oxalic Acid SCHEMBL7867764 0.74 HTR6 (0.55) HTR6HDAC4DRD2HTR1AHTR2A
SCHEMBL7867384 0.73 HTR6 (0.59) HTR6HDAC4DRD2HTR1AHTR2A
SCHEMBL4030523 0.66 HDAC4 (0.61) HDAC4DRD2HTR1AHTR2AHTT
SCHEMBL2395932 0.65 DRD4 (0.67) HDAC4DRD2HTR1AHTR2AHTT
SCHEMBL10287534 0.63 SIGMAR1 (0.71) HTR6HDAC4DRD2HTR1AHTR2A
SCHEMBL11784970 0.63 HTR6 (0.65) HTR6DRD2HTR1AHTR2AHTT
SCHEMBL6585625 0.63 DRD4 (0.63) HDAC4DRD2HTR1AHTR2AHTT
SCHEMBL2396123 0.62 HDAC4 (0.58) HDAC4DRD2HTR1AHTR2AHTT
SCHEMBL29188191 0.62 DRD4 (0.67) HDAC4DRD2HTR1AHTR2AHTT
SCHEMBL2394181 0.62 NAMPT (0.58) HDAC4NAMPTKDM4EMEN1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077213-A2 Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 2001-02-21 EP disclosed
US-6046215-A A PIPERIDINYLBENZOTHIOPHENES USEFUL FOR TRATING BRAIN DISORDERS ELI LILLY AND COMPANY (US) 2000-04-04 US disclosed
US-5846982-A Inhibition of serotonin reuptake ELI LILLY AND COMPANY (US) 1998-12-08 US disclosed
WO-1997047302-A1 INHIBITION OF SEROTONIN REUPTAKE ELI LILLY AND COMPANY (US) 1997-12-18 WO disclosed
EP-0812826-A1 1H-indole and benzo(b)thiophene derivatives with 4-(1,2,3,6-tetra:hydro:pyridinyl)- and 4-piperidinyl-groups bound to the heterocyclic ring as inhibitors of serotonin reuptake ELI LILLY AND COMPANY (US) 1997-12-17 EP disclosed