SCHEMBL8917156

SCHEMBL8917156

O=C(CCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2c(s1)CCCNC2=O

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.58
HTR2C P28335 4/20 0.56
HTR1A P08908 3/20 0.56
HTR2A P28223 3/20 0.56
DRD3 P35462 3/20 0.56
HTR6 P50406 3/20 0.56
KCNH2 Q12809 3/20 0.56
HRH1 P35367 2/20 0.56
ADRA1A P35348 1/20 0.56
DRD1 P21728 1/20 0.54
ACHE P22303 2/20 0.52
HTR7 P34969 1/20 0.49

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
SCHEMBL8916842 0.91 DRD2 (0.53) DRD2HTR2CHTR1AHTR2ADRD3
SCHEMBL8991832 0.88 DRD2 (0.58) DRD2HTR2CHTR1AHTR2ADRD3
SCHEMBL8991886 0.87 DRD2 (0.56) DRD2HTR2CHTR1AHTR2ADRD3
SCHEMBL8917266 0.86 DRD2 (0.61) DRD2HTR2CHTR2AHTR6ACHE
SCHEMBL8916437 0.85 DRD2 (0.59) DRD2HTR2CHTR1AHTR2ADRD3
SCHEMBL8917307 0.85 DRD2 (0.58) DRD2HTR2CHTR2AHTR6KCNH2
SCHEMBL8916867 0.85 DRD2 (0.61) DRD2HTR2CHTR1AHTR2ADRD3
SCHEMBL8916656 0.84 DRD2 (0.58) DRD2HTR2CHTR2AACHE
SCHEMBL8917216 0.84 DRD2 (0.57) DRD2HTR2CHTR1AHTR2ADRD3
SCHEMBL8918516 0.84 DRD2 (0.58) DRD2HTR2CHTR1AHTR2ADRD3

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
US-5691330-A ANTIPSYCHOTIC AGENT YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1997-11-25 US disclosed
US-5532240-A ANTIPSYCHOTIC AGENTS AND ANTISEROTONIN AGENTS YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-07-02 US disclosed
EP-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP disclosed