SCHEMBL9380668

SCHEMBL9380668

O=C(NCCCCN1CCN(c2nsc3ccccc23)CC1)C(F)(F)F

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.72
DRD2 P14416 1/20 0.72
HTR2A P28223 1/20 0.72
HTR7 P34969 1/20 0.72
HTR6 P50406 1/20 0.72

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
SCHEMBL9035939 0.87 HTR1A (0.80) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9694494 0.86 HTR1A (0.78) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9376382 0.85 HTR1A (0.79) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9383206 0.84 HTR1A (0.98) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9382217 0.84 HTR1A (0.96) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9036224 0.83 HTR1A (0.74) HTR1ADRD2HTR2AHTR7HTR6
Hydrochloric Acid SCHEMBL9596437 0.83 HTR1A (0.98) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9394753 0.82 HTR1A (0.69) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9202027 0.82 HTR1A (0.75) HTR1ADRD2HTR2AHTR7HTR6
SCHEMBL9207622 0.82 HTR1A (0.85) HTR1ADRD2HTR2AHTR7HTR6

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-0625978-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-30 EP disclosed
WO-1993016073-A1 PIPERAZINE AND PIPERIDINE DERIVATIVES, AND THEIR USE AS ANTIPSYCHOTICS THE WELLCOME FOUNDATION LIMITED (GB) 1993-08-19 WO disclosed
WO-1993013100-A1 METHOD FOR PRODUCING BIS-PYRIDINIC DERIVATIVES WITH ACETYLCHOLINESTERASE INHIBITING PROPERTIES BOEHRINGER INGELHEIM ESPAÑA S.A. (ES) 1993-07-08 WO disclosed