SCHEMBL4796283

SCHEMBL4796283

Fc1cc(F)c2c(C3CCNCC3)c[nH]c2c1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
APP P05067 5/20 0.47
HTR2C P28335 2/20 0.46
ADRB2 P07550 1/20 0.46
HTR6 P50406 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 9/20 0.40
SLC6A2 P23975 6/20 0.40
SLC6A3 Q01959 6/20 0.40
NMT2 O60551 1/20 0.40
NMT1 P30419 1/20 0.40
HTR1F P30939 1/20 0.39
HTR1A P08908 4/20 0.38
DRD2 P14416 1/20 0.36

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
SCHEMBL5387687 0.78 SLC6A4 (0.59) APPHTR2CADRB2HTR6HTR2A
SCHEMBL30877229 0.76 KDM4E (0.52) APPSLC6A4HTR1FHTR1ADRD2
SCHEMBL18324791 0.76 KDM4E (0.55) SLC6A4HTR1FHTR1ADRD2
SCHEMBL18324804 0.76 TDO2 (0.41) APPHTR2ASLC6A4HTR1FDRD2
SCHEMBL2904310 0.75 HTR2A (0.64) APPHTR2CADRB2HTR2ASLC6A4
SCHEMBL30275187 0.75 HTR2A (0.64) APPHTR2CADRB2HTR2ASLC6A4
Hydrochloric Acid SCHEMBL6248133 0.74 HTR2C (0.63) APPHTR2CADRB2HTR2ASLC6A4
SCHEMBL30877261 0.74 KDM4E (0.44) APPHTR2CHTR2ASLC6A4HTR1F
SCHEMBL2781509 0.72 HTR2C (0.62) APPHTR2CADRB2HTR6HTR2A
SCHEMBL17229881 0.71 HTR2C (0.46) HTR2CSLC6A4SLC6A2SLC6A3HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008015516-A1 FUSED TRICYCLIC HETEROCYCLES FOR THE TREATMENT OF SCHIZOPHRENIA PFIZER PRODUCTS INC. (US) 2008-02-07 WO disclosed