SCHEMBL8304798

SCHEMBL8304798

O=C1N(CCCCN2CCN(c3n[nH]c4cc(F)ccc34)CC2)CSC12CCCC2

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.44
HTR2A P28223 1/20 0.44

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
SCHEMBL8303613 0.99 DRD4 (0.43) DRD4HTR2A
SCHEMBL8302347 0.87 DRD4 (0.43) DRD4HTR2A
SCHEMBL8302387 0.87 PARP1 (0.47)
SCHEMBL8301654 0.86 PARP1 (0.46)
SCHEMBL8307413 0.81 DRD4 (0.44) DRD4HTR2A
SCHEMBL8302548 0.81 DRD4 (0.67) DRD4HTR2A
SCHEMBL8301640 0.81 DRD4 (0.66) DRD4HTR2A
SCHEMBL8304843 0.79 DRD4 (0.42) DRD4HTR2A
SCHEMBL8306729 0.79 DRD4 (0.39) DRD4HTR2A
SCHEMBL8303832 0.78 DRD4 (0.39) DRD4HTR2A

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-5041445-A Antipsychotic agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1991-08-20 US claimed
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