SCHEMBL30945993

SCHEMBL30945993

COCc1cc(OC)ccc1Br

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
HTR1A P08908 8/20 0.43
SLC6A4 P31645 8/20 0.43
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
ADRA1A P35348 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
HTR2A P28223 2/20 0.40
HTR2C P28335 1/20 0.40
HSD17B10 Q99714 1/20 0.40
APLNR P35414 1/20 0.39

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
SCHEMBL791872 1.00 IDO1 (0.46) IDO1HTR1ASLC6A4CYP11B1CYP11B2
SCHEMBL6603605 0.86 APLNR (0.44) IDO1CYP11B1CYP11B2ADRA1ATAAR1
SCHEMBL500774 0.85 IDO1 (0.41) IDO1HTR1ASLC6A4ADRA1ATAAR1
SCHEMBL30108669 0.85 IDO1 (0.43) IDO1HTR1ASLC6A4ADRA1ATAAR1
SCHEMBL14270259 0.85 IDO1 (0.43) IDO1HTR1ASLC6A4ADRA1ATAAR1
SCHEMBL7551792 0.83 ADRA1A (0.48) IDO1HTR1ASLC6A4ADRA1ATAAR1
SCHEMBL8259521 0.82 SLC6A4 (0.41) HTR1ASLC6A4
SCHEMBL1058869 0.82 HTR2A (0.44) IDO1HTR1ASLC6A4ADRA1ATAAR1
SCHEMBL2001551 0.82 HSD17B10 (0.44) IDO1HTR1ASLC6A4ADRA1ATAAR1
SCHEMBL31348890 0.81 HTR1A (0.41) IDO1HTR1ASLC6A4ADRA1ATAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025051102-A1 DEUTERATED TETRACYCLIC DERIVATIVE AND USE THEREOF 浙江我武翼方药业有限公司 2025-03-13 WO disclosed
CN-119591611-A Deuterated tetracyclic derivative and application thereof 浙江我武翼方药业有限公司 2025-03-11 CN disclosed
CN-118146234-A 6,5,7,6-Tetracyclic derivatives, preparation method and application thereof 浙江我武翼方药业有限公司 2024-06-07 CN disclosed