SCHEMBL5777922

SCHEMBL5777922

CC1(C)c2cc(CCN3CCN(c4snc5ccccc45)CC3)ccc2CC1CCN

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.41
HTR2A P28223 11/20 0.41
DRD2 P14416 10/20 0.41
KCNH2 Q12809 10/20 0.41
HTR7 P34969 1/20 0.38
DRD1 P21728 1/20 0.36
HTR2C P28335 1/20 0.36
HTR1D P28221 1/20 0.35
HTR1B P28222 1/20 0.35

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
SCHEMBL6401307 0.84 HTR1A (0.59) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL5738181 0.84 HTR1A (0.44) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL5777920 0.83 HTR1A (0.40) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6397695 0.80 HTR1A (0.54) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6401306 0.79 HTR1A (0.59) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6399873 0.74 HTR1A (0.54) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6397700 0.69 HTR1A (0.52) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6399699 0.68 HTR1A (0.61) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6400727 0.67 HTR1A (0.65) HTR1AHTR2ADRD2KCNH2HTR7
SCHEMBL6402177 0.67 HTR1A (0.57) HTR1AHTR2ADRD2KCNH2HTR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1697334-A1 HETEROCYCLIC SUBSTITUTED INDANE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA Warner-Lambert Company LLC (US) 2006-09-06 EP disclosed
WO-2005056540-A1 HETEROCYCLIC SUBSTITUTED INDANE DERIVATIVES AND RELATED COMPOUNDS FOR THE TREATMENT OF SCHIZOPHRENIA WARNER-LAMBERT COMPANY LLC (US) 2005-06-23 WO disclosed