SCHEMBL8307627

SCHEMBL8307627

CC1SCN(CCCCN2CCN(c3nn(C(=O)c4ccccc4)c4cc(F)ccc34)CC2)C1=O

nearest known ligand 0.54

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.37
DRD2 P14416 3/20 0.37
HTR2A P28223 3/20 0.37

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
SCHEMBL8308708 0.90 HTR2A (0.37) HTR1ADRD2HTR2A
SCHEMBL8306729 0.80 DRD4 (0.39) HTR2A
SCHEMBL8303832 0.79 DRD4 (0.39) HTR1ADRD2HTR2A
SCHEMBL10415353 0.78 DRD3 (0.48) HTR1ADRD2HTR2A
SCHEMBL9778381 0.78 SMO (0.44)
Hydrochloric Acid SCHEMBL9778468 0.77 DRD3 (0.47) HTR1ADRD2HTR2A
SCHEMBL1545677 0.77 HTR1A (0.43) HTR1ADRD2HTR2A
Hydrochloric Acid SCHEMBL1545847 0.76 HTR1A (0.43) HTR1ADRD2HTR2A
SCHEMBL27331552 0.73 TLR7 (0.46) HTR1ADRD2HTR2A
Fumaric Acid SCHEMBL8854165 0.73 HTR1A (0.40) HTR1ADRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0458234-B1 3-[1,Thiazolidinylbutyl-4-piperazinyl]-1H-indazoles, a process for their preparation and their use as medicaments HOECHST MARION ROUSSEL INC (US) 1999-03-31 EP disclosed
EP-0458234-A2 3-[1,Thiazolidinylbutyl-4-piperazinyl]-1H-indazoles, a process for their preparation and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-11-27 EP disclosed
US-5041445-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-08-20 US disclosed