SCHEMBL8991832

SCHEMBL8991832

O=C(CCCN1CCC(c2noc3cc(F)ccc23)CC1)c1cc2c(s1)C(=O)NCCC2

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.58
HTR2C P28335 3/20 0.58
HTR1A P08908 2/20 0.58
HTR2A P28223 2/20 0.58
HRH1 P35367 2/20 0.58
DRD3 P35462 2/20 0.58
HTR6 P50406 2/20 0.58
KCNH2 Q12809 2/20 0.58
ADRA1A P35348 1/20 0.58
DRD1 P21728 1/20 0.55
ACHE P22303 2/20 0.52

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
SCHEMBL8916867 0.95 DRD2 (0.61) DRD2HTR2CHTR1AHTR2AHRH1
SCHEMBL8917156 0.88 DRD2 (0.58) DRD2HTR2CHTR1AHTR2AHRH1
SCHEMBL8919173 0.85 ACHE (0.58) DRD2HTR2CHTR1AHTR2AHRH1
SCHEMBL8916604 0.83 HTR6 (0.64) DRD2HTR2CHTR1AHTR2AHRH1
SCHEMBL8917276 0.83 HTR2C (0.58) DRD2HTR2CHTR1AHTR2AHRH1
SCHEMBL8917771 0.83 DRD2 (0.58) DRD2HTR2CHTR1AHTR2AHRH1
SCHEMBL8991886 0.82 DRD2 (0.56) DRD2HTR2CHTR1AHTR2AHRH1
Oxalic Acid SCHEMBL8917312 0.81 DRD2 (0.53) DRD2HTR2CHTR1AHTR2AHRH1
SCHEMBL8917216 0.80 DRD2 (0.57) DRD2HTR2CHTR1AHTR2AHRH1
Hydrochloric Acid SCHEMBL8991890 0.80 MCHR1 (0.56) DRD2HTR2CHTR1AHTR2AHRH1

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-0596125-A1 CONDENSED THIOPHENE COMPOUND AND PHARMACEUTICAL USE THEREOF YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1994-05-11 EP claimed
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