SCHEMBL9700535

SCHEMBL9700535

NCC1COc2c(Cl)cccc2N1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 9/20 0.38
HTR5A P47898 8/20 0.38
HTR1A P08908 6/20 0.38
HTR7 P34969 6/20 0.38
HTR2A P28223 5/20 0.36
HTR2B P41595 3/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR1D P28221 5/20 0.35
HTR6 P50406 2/20 0.35
HTR3A P46098 1/20 0.35
HRH1 P35367 1/20 0.35
CA2 P00918 1/20 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
SCHEMBL27642723 0.84 CREBBP (0.39) HTR2CHTR5AHTR1AHTR7HTR2A
SCHEMBL9700191 0.81 HTR5A (0.36) HTR2CHTR5AHTR1AHTR7HTR2A
SCHEMBL9700527 0.79 GAA (0.50) HTR2CHTR5AHTR1AHTR7GAA
SCHEMBL9699375 0.79 GAA (0.50) HTR2CHTR5AHTR1AHTR7GAA
SCHEMBL9701412 0.78 HTR1A (0.40) HTR2CHTR1AHTR7HTR2AHTR2B
SCHEMBL11854527 0.76 HTR5A (0.43) HTR2CHTR5AHTR1AHTR7HTR2A
SCHEMBL9700358 0.76 GAA (0.47) HTR2CHTR5AHTR1AHTR7GAA
SCHEMBL9700376 0.76 GAA (0.47) HTR2CHTR5AHTR1AHTR7HTR2A
SCHEMBL9700466 0.74 HTR2C (0.31) HTR2CHTR2AHTR2B
SCHEMBL9511671 0.73 GAA (0.57) HTR5AHTR1AGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5112820-A Vision defects STERLING DRUG INC. (US) 1992-05-12 US disclosed
US-5109135-A 2- or 3-aminomethyl-4-amino-3,4-dihydro-2H-1,4-benzoxazine intermediates STERLING DRUG INC. (US) 1992-04-28 US disclosed
US-5066803-A Chemical intermediates for analgesics STERLING DRUG INC. (US) 1991-11-19 US disclosed
WO-1990007505-A1 2- AND 3-AMINOMETHYL-6-ARYLCARBONYL-2,3-DIHYDROPYRROLO[1,2,3-de]-1,4-BENZOXAZINES STERLING DRUG INC. (US) 1990-07-12 WO disclosed
US-4939138-A 2- and 3-aminomethyl-6-arylcarbonyl-2,3-dihydropyrrolo(1,2,3-DE)-1,4-benzoxazines STERLING DRUG INC. (US) 1990-07-03 US disclosed