SCHEMBL28254010

SCHEMBL28254010

[CH2]CC1CCCc2c1c1c(OC)ccc(Cl)c1n2CCOCc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.38
SIGMAR1 Q99720 1/20 0.36
LTA4H P09960 1/20 0.35
HCRTR1 O43613 2/20 0.34
HCRTR2 O43614 2/20 0.34
TSPO P30536 2/20 0.33
TEAD3 Q99594 1/20 0.32
PRKDC P78527 1/20 0.32

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
SCHEMBL416598 0.85 TSPO (0.42) LTA4HHCRTR1HCRTR2TSPOTEAD3
SCHEMBL416578 0.85 TSPO (0.42) HCRTR1HCRTR2TSPOTEAD3
SCHEMBL420135 0.82 TSPO (0.41) TSPO
SCHEMBL22210606 0.82 LTA4H (0.33) HTR6SIGMAR1LTA4HHCRTR1HCRTR2
SCHEMBL460215 0.81 TSPO (0.56) TSPO
SCHEMBL6693579 0.73 FABP4 (0.44) HTR6HCRTR1HCRTR2TSPO
SCHEMBL12748241 0.73 TSPO (0.44) TSPO
SCHEMBL12748229 0.73 TSPO (0.44) TSPO
SCHEMBL12748236 0.73 TSPO (0.44) TSPO
SCHEMBL6694139 0.72 TSPO (0.42) HTR6HCRTR1HCRTR2TSPO

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-105452221-B Enantiomer separation and purification of 2,3,4, 9-tetrahydro-1H-carbazole-4-carboxamide derivatives 通用电气健康护理有限公司 2018-11-23 CN disclosed