SCHEMBL31348890

SCHEMBL31348890

[2H]C([2H])(OC)c1cc(OC)ccc1Br

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 9/20 0.41
SLC6A4 P31645 9/20 0.41
IDO1 P14902 2/20 0.40
ADRA1A P35348 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40
HTR2A P28223 2/20 0.38
HTR2C P28335 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL31348826 0.81 HSD17B10 (0.41) HTR1ASLC6A4IDO1ADRA1ATAAR1
SCHEMBL15882751 0.81 HTR1A (0.43) HTR1ASLC6A4IDO1ADRA1ATAAR1
SCHEMBL791872 0.81 IDO1 (0.46) HTR1ASLC6A4IDO1ADRA1ATAAR1
SCHEMBL30945993 0.81 IDO1 (0.46) HTR1ASLC6A4IDO1ADRA1ATAAR1
SCHEMBL7551792 0.80 ADRA1A (0.48) HTR1ASLC6A4IDO1ADRA1ATAAR1
SCHEMBL1058869 0.79 HTR2A (0.44) HTR1ASLC6A4IDO1ADRA1ATAAR1
SCHEMBL2001551 0.79 HSD17B10 (0.44) HTR1ASLC6A4IDO1ADRA1ATAAR1
SCHEMBL6401311 0.77 ALDH1A1 (0.47) HTR1ASLC6A4IDO1ADRA1ATAAR1
SCHEMBL15289008 0.77 HTR1A (0.43) HTR1ASLC6A4IDO1ADRA1ATAAR1
SCHEMBL594784 0.77 KDM4E (0.46) HTR1ASLC6A4IDO1ADRA1ATAAR1

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
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