SCHEMBL7001273

SCHEMBL7001273

NC1=Nc2ccccc2Nc2sc3cc(Cl)ccc3c21

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.35
CHRM1 P11229 7/20 0.35
DRD4 P21917 3/20 0.35
DRD3 P35462 3/20 0.35
MAPT P10636 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
DRD1 P21728 7/20 0.32
KCNH2 Q12809 6/20 0.32
CHRM2 P08172 6/20 0.32
CHRM4 P08173 6/20 0.32
CHRM5 P08912 6/20 0.32
CHRM3 P20309 6/20 0.32
ADRA1D P25100 5/20 0.32
HTR2A P28223 5/20 0.32
HTR2C P28335 5/20 0.32
ADRA1A P35348 5/20 0.32
HRH1 P35367 5/20 0.32
ADRA1B P35368 5/20 0.32
HTR2B P41595 5/20 0.32

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
SCHEMBL6998543 0.85 BACE1 (0.35) DRD2CHRM1DRD4DRD3MAPT
SCHEMBL14156629 0.84 LMNA (0.36) DRD2CHRM1DRD4DRD3MAPT
Hydrochloric Acid SCHEMBL4836312 0.83 LMNA (0.35) DRD2CHRM1DRD4DRD3MAPT
SCHEMBL6991310 0.77 DRD2 (0.61) DRD2CHRM1DRD4DRD3MAPT
SCHEMBL6994826 0.76 CHEK1 (0.47) MAPTNPC1RAB9ALMNAMEN1
SCHEMBL6996940 0.74 AXL (0.34) MAPTLMNAHTR5AGFERBCKDK
SCHEMBL6994128 0.72 IDO1 (0.34) CHRM1MAPTRAB9AHRH1MEN1
SCHEMBL4836633 0.72 MAPT (0.34) MAPTRAB9AHTR5AGFERSMN1; SMN2
Hydrochloric Acid SCHEMBL4843553 0.72 MAPT (0.34) MAPTRAB9AHTR5ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL4843411 0.72 IDO1 (0.33) CHRM1MAPTRAB9AHRH1MEN1

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-1016664-B1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2003-07-02 EP disclosed
US-6455521-B1 PSYCHOLOGICAL DISORDERS; SIDE EFFECT REDUCTION MITSUBISHI PHARMA CORPORATION (JP) 2002-09-24 US disclosed
EP-1016664-A1 FUSED THIOPHENE COMPOUNDS AND MEDICINAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2000-07-05 EP disclosed