SCHEMBL5738682

SCHEMBL5738682

CC1(C)c2ccc(CCCN3CCN(c4onc5ccccc45)CC3)cc2C(C)(C)C1O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.38
DRD2 P14416 3/20 0.37
HTR7 P34969 2/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
HTR1A P08908 1/20 0.36
HTR1D P28221 1/20 0.36
HTR1B P28222 1/20 0.36
OPRM1 P35372 1/20 0.35
EBP Q15125 2/20 0.34
TMEM97 Q5BJF2 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
EBPL Q9BY08 1/20 0.34

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
SCHEMBL5750335 0.85 HTR1A (0.39) DRD2HTR7HTR2AHTR2CHTR2B
SCHEMBL6400823 0.84 DRD2 (0.48) SIGMAR1DRD2HTR7HTR2AHTR1A
SCHEMBL5739261 0.84 HTR1A (0.40) SIGMAR1DRD2HTR7HTR2AHTR2C
SCHEMBL5740933 0.81 HTR2A (0.38) SIGMAR1DRD2HTR7HTR2AHTR2C
SCHEMBL6405448 0.80 HTR7 (0.51) DRD2HTR7HTR2A
SCHEMBL5738687 0.79 HTR1A (0.41) DRD2HTR7HTR2AHTR2CHTR2B
SCHEMBL5739172 0.79 ADRA1D (0.40) HTR7HTR1AMEN1KMT2A
SCHEMBL6399597 0.79 HTR1A (0.56) DRD2HTR7HTR2AHTR1A
SCHEMBL5772179 0.79 HTR1A (0.42) DRD2HTR7HTR2AHTR2CHTR2B
SCHEMBL6404206 0.78 HTR2A (0.48) SIGMAR1DRD2HTR7HTR2AHTR1A

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