SCHEMBL9837336

SCHEMBL9837336

Cc1ccccc1OC[C@@H]1CN(C(C)Cc2c[nH]c3ccccc23)C(=O)O1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.43
HTR1A P08908 2/20 0.42
DRD2 P14416 2/20 0.41
DRD3 P35462 2/20 0.41
DRD4 P21917 1/20 0.41
ADRB1 P08588 1/20 0.40
ADRA2A P08913 1/20 0.40
SLC6A2 P23975 1/20 0.40
HTR1D P28221 1/20 0.40
HTR1B P28222 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
HTR1E P28566 1/20 0.40
SLC6A4 P31645 1/20 0.40
HTR7 P34969 1/20 0.40
HTR2B P41595 1/20 0.40
HTR6 P50406 1/20 0.40
SLC6A3 Q01959 1/20 0.40
CYP2C19 P33261 2/20 0.40
POLB P06746 3/20 0.40

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
SCHEMBL9837332 1.00 PKM (0.43) PKMHTR1ADRD2DRD3DRD4
SCHEMBL10558635 1.00 PKM (0.43) PKMHTR1ADRD2DRD3DRD4
SCHEMBL9835778 1.00 PKM (0.43) PKMHTR1ADRD2DRD3DRD4
SCHEMBL9835784 1.00 PKM (0.43) PKMHTR1ADRD2DRD3DRD4
SCHEMBL11220571 0.74 HTR1A (0.45) HTR1ADRD3DRD4ADRB1HTR1B
SCHEMBL11875374 0.71 HTR2B (0.47) PKMDRD4HTR2BL3MBTL1GRM2
SCHEMBL9225971 0.71 PDK1 (0.46) HTR1ADRD3ADRB1ADRA2ASLC6A2
SCHEMBL9225959 0.71 PDK1 (0.46) HTR1ADRD3ADRB1ADRA2ASLC6A2
SCHEMBL9837429 0.70 HTR1A (0.41) HTR1ADRD2DRD3DRD4SLC6A4
SCHEMBL11071694 0.70 PARP1 (0.44) PKMHTR2BKDM4ERECQLL3MBTL1

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
EP-0251938-B1 STEREOSPECIFIC PROCESS FOR THE SYNTHESIS OF INDOLE DERIVATIVES SANOFI (FR) 1991-11-06 EP claimed