SCHEMBL27922201

SCHEMBL27922201

O=C(NC1CCC(CCN2CCN(c3nsc4ccccc34)CC2)CC1)C(F)(F)F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 1.00
DRD2 P14416 20/20 1.00
HTR2A P28223 20/20 1.00
DRD3 P35462 16/20 1.00

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
SCHEMBL27922203 1.00 HTR1A (1.00) HTR1ADRD2HTR2ADRD3
SCHEMBL15788660 1.00 HTR1A (1.00) HTR1ADRD2HTR2ADRD3
SCHEMBL27904327 0.90 HTR1A (0.82) HTR1ADRD2HTR2ADRD3
SCHEMBL19809044 0.89 HTR1A (0.84) HTR1ADRD2HTR2ADRD3
SCHEMBL19809074 0.89 HTR1A (0.84) HTR1ADRD2HTR2ADRD3
SCHEMBL19809041 0.89 HTR1A (0.84) HTR1ADRD2HTR2ADRD3
SCHEMBL27922185 0.89 HTR1A (1.00) HTR1ADRD2HTR2ADRD3
SCHEMBL15788654 0.89 HTR1A (1.00) HTR1ADRD2HTR2ADRD3
SCHEMBL27904332 0.89 HTR1A (1.00) HTR1ADRD2HTR2ADRD3
SCHEMBL17598625 0.87 HTR1A (1.00) HTR1ADRD2HTR2ADRD3

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
CN-103130737-A Cyclohexane amine compound and application of cyclohexane amine compound as anti-schizophrenia medicine JIANGSU HENGYI PHARMACEUTICAL CO LTD 2013-06-05 CN disclosed