SCHEMBL8831599

SCHEMBL8831599

Clc1nn(CCCCN2CCN(c3nsc4ccccc34)CC2)c2ccccc12

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 6/20 0.67
ADRA1D P25100 2/20 0.67
ADRA1B P35368 2/20 0.67
HTR1A P08908 5/20 0.59
HTR7 P34969 5/20 0.59
DRD2 P14416 4/20 0.59
HTR6 P50406 4/20 0.59

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
SCHEMBL8831311 0.82 HTR2A (0.70) HTR2AADRA1DADRA1BHTR1AHTR7
SCHEMBL15748237 0.80 HTR2A (1.00) HTR2AADRA1DADRA1BHTR1AHTR7
SCHEMBL6185115 0.80 HTR2A (0.65) HTR2AADRA1DADRA1BHTR1AHTR7
Hydrochloric Acid SCHEMBL25342544 0.80 HTR2A (1.00) HTR2AADRA1DADRA1BHTR1AHTR7
Hydrochloric Acid SCHEMBL29432933 0.80 HTR2A (1.00) HTR2AADRA1DADRA1BHTR1AHTR7
SCHEMBL8831833 0.79 HTR2A (0.67) HTR2AADRA1DADRA1BHTR1AHTR7
SCHEMBL10843227 0.79 HTR2A (0.67) HTR2AADRA1DADRA1BHTR1AHTR7
SCHEMBL7285152 0.79 HTR2A (0.67) HTR2AADRA1DADRA1BHTR1AHTR7
SCHEMBL25335774 0.79 HTR2A (0.67) HTR2AADRA1DADRA1BHTR1AHTR7
SCHEMBL30515499 0.79 HTR2A (0.67) HTR2AADRA1DADRA1BHTR1AHTR7

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-0635506-A1 COMPOUND WITH ANTIPSYCHOTIC EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-01-25 EP claimed
CN-1050604-C Compound with antipsychotic effect MEIJI SEIKA KABUSHIKA KAISHA (JP) 2000-03-22 CN disclosed
US-5599815-A SIDE EFFECT REDUCTION MEIJI SEIKA KABUSHIKI KAISHA (JP) 1997-02-04 US disclosed
EP-0635506-A1 COMPOUND WITH ANTIPSYCHOTIC EFFECT MEIJI SEIKA KABUSHIKI KAISHA (JP) 1995-01-25 EP disclosed