SCHEMBL8306729

SCHEMBL8306729

O=C(c1ccccc1)n1nc(N2CCN(CCCCN3CSC4(CCCCC4)C3=O)CC2)c2ccc(F)cc21

nearest known ligand 0.56

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL8304843 0.90 DRD4 (0.42) DRD4HTR2A
SCHEMBL8307627 0.80 HTR1A (0.37) HTR2A
SCHEMBL8303613 0.80 DRD4 (0.43) DRD4HTR2A
SCHEMBL8304798 0.79 DRD4 (0.44) DRD4HTR2A
SCHEMBL10415353 0.76 DRD3 (0.48) DRD4HTR2A
Hydrochloric Acid SCHEMBL9778468 0.75 DRD3 (0.47) DRD4HTR2A
SCHEMBL1545677 0.75 HTR1A (0.43) HTR2A
Hydrochloric Acid SCHEMBL1545847 0.74 HTR1A (0.43) HTR2A
SCHEMBL8301654 0.74 PARP1 (0.46)
SCHEMBL9778381 0.74 SMO (0.44)

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