SCHEMBL9060404

SCHEMBL9060404

C=CC(N)c1c[nH]c2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.51
HTR2A P28223 3/20 0.51
FFAR1 O14842 2/20 0.51
HTR2C P28335 2/20 0.51
HTR2B P41595 2/20 0.51
MAPT P10636 4/20 0.45
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
ADRB1 P08588 1/20 0.44
HTR1A P08908 1/20 0.44
ADRA2A P08913 1/20 0.44
SLC6A2 P23975 1/20 0.44
HTR1D P28221 1/20 0.44
HTR1B P28222 1/20 0.44
HTR1E P28566 1/20 0.44
SLC6A4 P31645 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
SLC6A3 Q01959 1/20 0.44
PKM P14618 1/20 0.43

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
SCHEMBL29611508 1.00 GPR84 (0.51) GPR84HTR2AFFAR1HTR2CHTR2B
SCHEMBL7316265 0.82 GPR84 (0.51) GPR84HTR2AFFAR1HTR2CHTR2B
SCHEMBL6157434 0.81 GPR84 (0.55) GPR84HTR2AFFAR1HTR2CHTR2B
SCHEMBL3751138 0.81 GPR84 (0.56) GPR84HTR2AFFAR1HTR2CHTR2B
SCHEMBL14041262 0.81 GPR84 (0.56) GPR84HTR2AFFAR1HTR2CHTR2B
SCHEMBL13267637 0.81 GPR84 (0.56) GPR84HTR2AFFAR1HTR2CHTR2B
SCHEMBL6888701 0.79 GPR84 (0.56) GPR84HTR2AFFAR1HTR2CHTR2B
SCHEMBL11374722 0.79 GPR84 (0.51) GPR84HTR2AFFAR1HTR2CHTR2B
SCHEMBL2995918 0.78 HTR2A (0.51) GPR84HTR2AFFAR1HTR2CHTR2B
SCHEMBL11884580 0.77 AHR (0.43) ADRB1HTR6

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
JP-8157471-A None JP disclosed
JP-H08157471-A 3-(BENZENESULFONAMIDOALKYL)INDOLE DERIVATIVE TERUMO CORP 1996-06-18 JP disclosed