SCHEMBL8306648

SCHEMBL8306648

CC1SC2(CCCC2)C(=O)N1CCCCN1CCN(c2n[nH]c3ccccc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.54
HTR2A P28223 1/20 0.54
PARP1 P09874 1/20 0.43

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
SCHEMBL9760169 0.88 HTR2A (0.52) DRD4HTR2APARP1
SCHEMBL8302548 0.88 DRD4 (0.67) DRD4HTR2A
SCHEMBL8301640 0.87 DRD4 (0.66) DRD4HTR2A
SCHEMBL7990238 0.85 LMNA (0.58)
Hydrochloric Acid SCHEMBL7993287 0.84 LMNA (0.57)
SCHEMBL8302387 0.80 PARP1 (0.47) PARP1
SCHEMBL8301654 0.79 PARP1 (0.46) PARP1
SCHEMBL7993315 0.76 DRD4 (0.56) DRD4HTR2A
SCHEMBL8307680 0.75 HTR2A (0.65) DRD4HTR2A
Hydrochloric Acid SCHEMBL7979047 0.75 DRD4 (0.55) 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 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