SCHEMBL6952045

SCHEMBL6952045

c1ccc(N2CCN(CCCc3nc4c(s3)CCc3ccccc3-4)CC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.53
DRD2 P14416 6/20 0.53
DRD4 P21917 3/20 0.53
HTR1A P08908 7/20 0.48
HTR7 P34969 4/20 0.48
HTR2A P28223 3/20 0.48
SLC6A4 P31645 3/20 0.48
DRD1 P21728 2/20 0.48
HTR2C P28335 2/20 0.48
SIGMAR1 Q99720 4/20 0.48
KCNH2 Q12809 1/20 0.46
HRH1 P35367 1/20 0.45
DRD5 P21918 1/20 0.45
ADRB2 P07550 1/20 0.44
CHRM2 P08172 1/20 0.44
CHRM4 P08173 1/20 0.44
ADRB1 P08588 1/20 0.44
CHRM5 P08912 1/20 0.44
CHRM1 P11229 1/20 0.44
CHRM3 P20309 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 SCHEMBL6960476 0.99 DRD3 (0.52) DRD3DRD2DRD4HTR1AHTR7
SCHEMBL6952207 0.97 HTR1A (0.49) DRD3DRD2DRD4HTR1AHTR7
Hydrochloric Acid SCHEMBL6959796 0.96 HTR1A (0.48) DRD3DRD2DRD4HTR1AHTR7
SCHEMBL7081609 0.93 DRD2 (0.46) DRD3DRD2DRD4HTR1AHTR7
Hydrochloric Acid SCHEMBL6957118 0.92 DRD2 (0.45) DRD3DRD2DRD4HTR1AHTR7
SCHEMBL6953511 0.86 ADORA1 (0.47) DRD3DRD2DRD4HTR7ADORA1
Hydrochloric Acid SCHEMBL6959246 0.85 ADORA1 (0.46) DRD3DRD2DRD4HTR7ADORA1
SCHEMBL7082241 0.83 SIGMAR1 (0.52) DRD3DRD2DRD4HTR1ADRD1
Hydrochloric Acid SCHEMBL6956636 0.82 DRD2 (0.52) DRD3DRD2DRD4HTR1ADRD1
SCHEMBL7084707 0.80 SIGMAR1 (0.57) DRD3DRD2DRD4HTR1ASIGMAR1

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
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
EP-0851862-A1 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 S.p.A. (IT) 1998-07-08 EP disclosed
WO-1997008159-A1 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 & UPJOHN S.P.A. (IT) 1997-03-06 WO disclosed