SCHEMBL29007169

SCHEMBL29007169

Oc1ccc2[nH]cc(Cc3c[nH]c4ccc(Br)cc34)c2c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 3/20 0.81
HTR2C P28335 6/20 0.59
HTR2A P28223 5/20 0.58
HTR1A P08908 4/20 0.58
CYP2D6 P10635 3/20 0.58
CYP2C9 P11712 3/20 0.58
HTR2B P41595 3/20 0.58
HTR1D P28221 3/20 0.58
TSHR P16473 2/20 0.58
CYP1A2 P05177 2/20 0.58
HTR1B P28222 2/20 0.58
TRPM8 Q7Z2W7 1/20 0.58
HTR3E A5X5Y0 1/20 0.58
HTR3B O95264 1/20 0.58
CYP3A4 P08684 1/20 0.58
DRD1 P21728 1/20 0.58
HTR1E P28566 1/20 0.58
HTR1F P30939 1/20 0.58
HTR7 P34969 1/20 0.58
DRD3 P35462 1/20 0.58

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
SCHEMBL30430310 1.00 GPR84 (0.81) GPR84HTR2CHTR2AHTR1ACYP2D6
SCHEMBL27929625 0.90 GPR84 (1.00) GPR84HTR2CHTR2AHTR1AHTR2B
SCHEMBL5424801 0.90 HTR2C (0.71) GPR84HTR2CHTR2AHTR1ACYP2D6
SCHEMBL31744762 0.83 HTR2C (0.57) GPR84HTR2CHTR2AHTR1ACYP2D6
SCHEMBL31744620 0.83 GPR84 (0.73) GPR84HTR2AHTR1ATRPM8CYP3A4
SCHEMBL31744667 0.82 GPR84 (0.83) GPR84HTR2AHTR1ATRPM8CYP3A4
SCHEMBL5436142 0.81 GPR84 (0.51) GPR84HTR2CHTR2AHTR1ACYP2D6
SCHEMBL31744818 0.80 GPR84 (0.73) GPR84HTR2CHTR2AHTR1AHTR2B
SCHEMBL31744785 0.80 GPR84 (0.80) GPR84HTR2CHTR2AHTR1AHTR2B
SCHEMBL1920230 0.80 GPR84 (0.73) GPR84HTR2CHTR2AHTR1AHTR2B

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
CN-114634438-B Preparation method of bisindolyl methane and derivative thereof 兰州大学 2023-05-26 CN disclosed