SCHEMBL28639040

SCHEMBL28639040

c1ccc2c(c1)CCC21CCOc2ccccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.41
ITGB2 P05107 1/20 0.39
ICAM1 P05362 1/20 0.39
ITGAL P20701 1/20 0.39
KDM1A O60341 2/20 0.39
MAOB P27338 1/20 0.39
OPRM1 P35372 1/20 0.36
OPRL1 P41146 1/20 0.36
KCNH2 Q12809 1/20 0.36
LMNA P02545 2/20 0.35
CRHBP P24387 2/20 0.35
CRHR2 Q13324 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
DRD2 P14416 1/20 0.34
SLC6A2 P23975 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34

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
SCHEMBL30586815 1.00 HTR2A (0.41) HTR2AITGB2ICAM1ITGALKDM1A
SCHEMBL30532243 0.98 HTR2A (0.40) HTR2AITGB2ICAM1ITGALKDM1A
SCHEMBL30532238 0.92 HTR2A (0.36) HTR2AITGB2ICAM1ITGALKDM1A
Phosphoric Acid SCHEMBL31668858 0.87 HTR2A (0.33) HTR2AKDM1AMAOBOPRM1OPRL1
SCHEMBL666915 0.81 HTR2A (0.55) HTR2AKDM1AMAOBTSHRTDP1
Hydrochloric Acid SCHEMBL30593071 0.79 HTR2A (0.53) HTR2AKDM1AMAOBTSHRTDP1
SCHEMBL31741763 0.79 HTR2A (0.53) HTR2AKDM1AMAOBTSHRTDP1
SCHEMBL30586769 0.76 DRD1 (0.38)
SCHEMBL29445683 0.74 HTR2A (0.48) HTR2AKDM1AMAOBTSHRTDP1
SCHEMBL31084187 0.71 HTR2A (0.46) HTR2AKDM1AMAOBTSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116854744-A Synthesis and application of chiral spiro [ chromane-4, 1' -indan ] bidentate ligand iridium complex 南开大学 2023-10-10 CN claimed
CN-116655691-A Synthesis and application of chiral spiro [ chromane-4, 1' -indan ] phosphite monophosphorus ligand 南开大学 2023-08-29 CN claimed
CN-116854744-B Synthesis and application of chiral spiro [ chromane-4, 1' -indan ] bidentate ligand iridium complex 南开大学 2025-08-05 CN disclosed
CN-116854744-B Synthesis and application of chiral spiro [ chromane-4, 1' -indan ] bidentate ligand iridium complex 南开大学 2025-08-05 CN disclosed
CN-116854744-A Synthesis and application of chiral spiro [ chromane-4, 1' -indan ] bidentate ligand iridium complex 南开大学 2023-10-10 CN disclosed
CN-116854744-A Synthesis and application of chiral spiro [ chromane-4, 1' -indan ] bidentate ligand iridium complex 南开大学 2023-10-10 CN disclosed
CN-116854744-A Synthesis and application of chiral spiro [ chromane-4, 1' -indan ] bidentate ligand iridium complex 南开大学 2023-10-10 CN disclosed
CN-116655691-A Synthesis and application of chiral spiro [ chromane-4, 1' -indan ] phosphite monophosphorus ligand 南开大学 2023-08-29 CN disclosed
CN-116655691-A Synthesis and application of chiral spiro [ chromane-4, 1' -indan ] phosphite monophosphorus ligand 南开大学 2023-08-29 CN disclosed
CN-109970697-B Synthesis method of chiral spiro [ chroman-4, 1' -indan ] molecule 南开大学 2021-10-12 CN disclosed