SCHEMBL24300090

SCHEMBL24300090

CN1c2ccc(Br)cc2C2Cc3ccccc3C21

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
HTR2A P28223 6/20 0.36
HTR2C P28335 6/20 0.36
HTR2B P41595 5/20 0.36
HRH3 Q9Y5N1 5/20 0.36
HSD17B3 P37058 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35

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
SCHEMBL8946437 0.84 SLC6A2 (0.40) OPRM1HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL8946442 0.84 SLC6A2 (0.40) OPRM1HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL8946433 0.84 SLC6A2 (0.40) OPRM1HTR2AHTR2CSLC6A2SLC6A4
SCHEMBL8946743 0.83 ADRA2A (0.41) OPRM1OPRK1HTR2AHTR2CHTR2B
SCHEMBL8946720 0.83 ADRA2A (0.41) OPRM1OPRK1HTR2AHTR2CHTR2B
SCHEMBL8946747 0.83 ADRA2A (0.41) OPRM1OPRK1HTR2AHTR2CHTR2B
SCHEMBL8946988 0.81 HTR2A (0.45) OPRM1HTR2ASLC6A2SLC6A4
SCHEMBL8946497 0.81 KDM4E (0.43) OPRM1OPRK1HTR2AHTR2CHTR2B
SCHEMBL8946972 0.81 HTR2A (0.45) OPRM1HTR2ASLC6A2SLC6A4
SCHEMBL8946506 0.81 KDM4E (0.43) OPRM1OPRK1HTR2AHTR2CHTR2B

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
WO-2022071744-A1 ETHYLENE/1-HEXENE COPOLYMER HAVING EXCELLENT CONSTRUCTABILITY AND PROCESSABILITY 주식회사 엘지화학 2022-04-07 WO disclosed