SCHEMBL6428674

SCHEMBL6428674

NCCCN1C=Cc2ccccc2-c2ccccc21

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 4/20 0.40
▸ TDP1 Q9NUW8 3/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ THRB P10828 1/20 0.37
▸ MAPK1 P28482 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ PIM1 P11309 1/20 0.36
▸ HTR1A P08908 4/20 0.35
▸ DRD2 P14416 4/20 0.35
▸ HTR6 P50406 4/20 0.35
▸ SLC6A4 P31645 2/20 0.35
▸ HRH1 P35367 2/20 0.35
▸ HEXA P06865 1/20 0.34
▸ HEXB P07686 1/20 0.34
▸ GRIN1 Q05586 3/20 0.34
▸ GRIN2A Q12879 3/20 0.34
▸ GRIN2B Q13224 3/20 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
SCHEMBL15018437 0.72 HEXA (0.45) HTR2AMEN1MAPTKMT2APIM1
SCHEMBL1822854 0.71 BRD4 (0.41) HTR2AMEN1MAPTTHRBHTT
SCHEMBL1650918 0.69 HTR2A (0.59) HTR2AMEN1MAPTMAPK1KMT2A
SCHEMBL13591489 0.66 MAPT (0.47) TDP1MEN1MAPTTHRBMAPK1
SCHEMBL15018068 0.66 HEXA (0.41) TDP1MEN1MAPTTHRBMAPK1
SCHEMBL13171882 0.65 MEN1 (0.52) TDP1MEN1MAPTTHRBMAPK1
SCHEMBL3765842 0.64 LMNA (0.49) MEN1MAPTTHRBMAPK1KMT2A
SCHEMBL10448839 0.64 MEN1 (0.54) TDP1MEN1MAPTTHRBMAPK1
SCHEMBL4063836 0.63 HEXA (0.71) TDP1MEN1MAPTKMT2ASMN1; SMN2
SCHEMBL15064785 0.63 HTR2A (0.56) HTR2AMAPK1HTTPIM1DRD2

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-1558231-A2 DOSAGE ESCALATION AND DIVIDED DAILY DOSE OF ANTI-DEPRESSANTS TO TREAT NEUROLOGICAL DISORDERS Cypress Bioscience, Inc. (US) 2005-08-03 — — EP disclosed
WO-2004030633-A2 DOSAGE ESCALATION AND DIVIDED DAILY DOSE OF ANTI-DEPRESSANTS TO TREAT NEUROLOGICAL DISORDERS CYPRESS BIOSCIENCE, INC. (US) 2004-04-15 — — WO disclosed
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