SCHEMBL29133633

SCHEMBL29133633

[CH2]Cc1cc(Br)ccc1I

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.31
GFER P55789 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
CYP2A6 P11509 2/20 0.30
BACE1 P56817 1/20 0.30
PTGDR2 Q9Y5Y4 1/20 0.30
ALOX15 P16050 1/20 0.30
AHR P35869 1/20 0.30

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
SCHEMBL3432306 0.83
SCHEMBL2556376 0.79 CYP2A6 (0.32) TSHRGFERGPR84CYP2A6BACE1
SCHEMBL30087221 0.79 CYP2A6 (0.32) TSHRGFERGPR84CYP2A6BACE1
SCHEMBL1574764 0.77 PTGDR2 (0.44) TSHRGFERPTGDR2ALOX15
SCHEMBL30087267 0.77 CCR5 (0.31) TSHRGFERGPR84CYP2A6BACE1
SCHEMBL515201 0.77 SMN1; SMN2 (0.40) TSHRPTGDR2
SCHEMBL12097459 0.77 CCR5 (0.31) TSHRGFERGPR84CYP2A6BACE1
SCHEMBL31088263 0.77 SMN1; SMN2 (0.40) TSHRPTGDR2
SCHEMBL9939277 0.77 CYP2A6 (0.44) TSHRGFERGPR84CYP2A6BACE1
SCHEMBL5249066 0.76 HSP90AA1 (0.41) TSHRGFERGPR84CYP2A6PTGDR2

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-117098757-A GPR84 antagonists and uses thereof 里米诺生物科学有限公司 2023-11-21 CN disclosed