SCHEMBL6952207

SCHEMBL6952207

c1ccc(N2CCN(CCCCc3nc4c(s3)CCc3ccccc3-4)CC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.49
HTR7 P34969 9/20 0.49
DRD2 P14416 8/20 0.49
DRD3 P35462 7/20 0.49
HTR2A P28223 6/20 0.49
HTR2C P28335 5/20 0.49
SLC6A4 P31645 4/20 0.49
DRD1 P21728 2/20 0.49
DRD4 P21917 2/20 0.49
SIGMAR1 Q99720 2/20 0.49
KCNH2 Q12809 1/20 0.48
DRD5 P21918 2/20 0.47
HRH1 P35367 1/20 0.46
HTR2B P41595 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
Hydrochloric Acid SCHEMBL6959796 0.99 HTR1A (0.48) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL6952045 0.97 DRD3 (0.53) HTR1AHTR7DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL6960476 0.96 DRD3 (0.52) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL7081609 0.92 DRD2 (0.46) HTR1AHTR7DRD2DRD3HTR2A
Hydrochloric Acid SCHEMBL6957118 0.91 DRD2 (0.45) HTR1AHTR7DRD2DRD3HTR2A
SCHEMBL7082241 0.86 SIGMAR1 (0.52) HTR1ADRD2DRD3DRD1DRD4
SCHEMBL6953511 0.85 ADORA1 (0.47) HTR7DRD2DRD3DRD4
Hydrochloric Acid SCHEMBL6956636 0.85 DRD2 (0.52) HTR1ADRD2DRD3DRD1DRD4
Hydrochloric Acid SCHEMBL6959246 0.84 ADORA1 (0.46) HTR7DRD2DRD3DRD4
SCHEMBL7084707 0.83 SIGMAR1 (0.57) HTR1ADRD2DRD3DRD4SIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0851862-B1 1(HETERO)ARYL-4-(CONDENSED THIAZOL-2-YLALKYL)-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF 5-HT1A-RECEPTOR MEDIATED DISORDERS PHARMACIA ITALIA SPA (IT) 2003-09-10 EP claimed
EP-0851862-B1 1(HETERO)ARYL-4-(CONDENSED THIAZOL-2-YLALKYL)-PIPERAZINE DERIVATIVES, THEIR PREPARATION AND THEIR USE IN THE TREATMENT OF 5-HT1A-RECEPTOR MEDIATED DISORDERS PHARMACIA ITALIA SPA (IT) 2003-09-10 EP disclosed