SCHEMBL9205685

SCHEMBL9205685

CC(c1c[nH]c2ccc(Oc3ncccn3)cc12)N(C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.45
HTR2C P28335 3/20 0.45
HTR2B P41595 3/20 0.45
SRC P12931 2/20 0.44
MTNR1A P48039 2/20 0.40
MTNR1B P49286 2/20 0.40
RAB9A P51151 1/20 0.40
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
HTR1D P28221 2/20 0.37
HTR1B P28222 2/20 0.37
AHR P35869 1/20 0.37
HTR1A P08908 2/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL9204127 0.85 HTR2B (0.45) HTR2AHTR2CHTR2BSRCMTNR1A
SCHEMBL9203861 0.85 HTR2B (0.50) HTR2AHTR2CHTR2BSRCMTNR1A
SCHEMBL9204210 0.83 LMNA (0.46) HTR2AHTR2CHTR2BSRCMTNR1A
SCHEMBL4796985 0.83 HTR2B (0.63) HTR2AHTR2CHTR2BSRCMTNR1A
SCHEMBL9202189 0.81 HTR2B (0.54) HTR2AHTR2CHTR2BSRCMTNR1A
SCHEMBL9213440 0.81 HTR2A (0.45) HTR2AHTR2CHTR2BSRCMTNR1A
SCHEMBL31134129 0.80 HTR2A (0.50) HTR2AHTR2CHTR2BSRCMTNR1A
SCHEMBL9208221 0.80 HTR2A (0.44) HTR2AHTR2CHTR2BSRCMTNR1A
SCHEMBL38657787 0.77 HTR1D (0.61) SRCMAPTHTR1DHTR1BHTR1A
SCHEMBL9203858 0.76 THRA (0.43) HTR2AHTR2CHTR2BSRCMAPT

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-0674619-A1 TRYPTAMINE ANALOGUES AS 5-HT 1?-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1995-10-04 EP disclosed
WO-1994014770-A1 TRYPTAMINE ANALOGUES AS 5-HT1-LIKE AGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-07 WO disclosed