SCHEMBL5738181

SCHEMBL5738181

CC1(C)c2ccc(CCN3CCN(c4snc5ccccc45)CC3)cc2C(C)(C)C1N

nearest known ligand 0.46

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 14/20 0.44
HTR2A P28223 13/20 0.44
KCNH2 Q12809 12/20 0.44
DRD2 P14416 11/20 0.44
HTR7 P34969 1/20 0.41
DRD1 P21728 1/20 0.38
HTR2C P28335 1/20 0.38

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
SCHEMBL5777922 0.84 HTR1A (0.41) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6400727 0.83 HTR1A (0.65) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL5750335 0.82 HTR1A (0.39) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL5777920 0.80 HTR1A (0.40) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6406964 0.77 HTR2A (0.48) HTR1AHTR2ADRD2HTR7
SCHEMBL6399699 0.74 HTR1A (0.61) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6400489 0.73 HTR1A (0.63) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6399709 0.72 HTR1A (0.61) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6397588 0.69 HTR1A (0.55) HTR1AHTR2AKCNH2DRD2HTR7
SCHEMBL6400115 0.69 HTR1A (0.68) HTR1AHTR2AKCNH2DRD2HTR7

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