SCHEMBL5784362

SCHEMBL5784362

CC1(C)C(=O)C(C)(C)c2cc(C(Cl)CN3CCN(c4onc5ccccc45)CC3)ccc21

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.31
DRD2 P14416 1/20 0.31
HTR2A P28223 1/20 0.31
NCF1 P14598 1/20 0.30

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
SCHEMBL5738397 0.85 PDE1A (0.34)
SCHEMBL6401061 0.84 HTR2A (0.46) HTR1ADRD2HTR2A
SCHEMBL5738711 0.83 MEN1 (0.39) HTR1A
SCHEMBL5738525 0.79 HTR1A (0.44) HTR1A
SCHEMBL5739261 0.78 HTR1A (0.40) HTR1ADRD2HTR2A
SCHEMBL6397678 0.75 HTR2A (0.48) HTR1ADRD2HTR2A
SCHEMBL5740933 0.74 HTR2A (0.38) HTR1ADRD2HTR2A
SCHEMBL5739172 0.74 ADRA1D (0.40) HTR1A
SCHEMBL6400812 0.73 HTR2A (0.47) HTR1ADRD2HTR2A
SCHEMBL5737988 0.71 HTR1A (0.30) HTR1ADRD2HTR2A

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