SCHEMBL30220116

SCHEMBL30220116

CC(C)(C)[C@@H]1COC(c2ccccc2P(c2ccccc2)c2ccccc2)=N1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 2/20 0.35
MAPT P10636 2/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CNR2 P34972 1/20 0.32
POLB P06746 1/20 0.32
P2RY1 P47900 1/20 0.30

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
SCHEMBL15478440 1.00 DRD1 (0.35) DRD1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1111225 1.00 DRD1 (0.35) DRD1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL1111229 1.00 DRD1 (0.35) DRD1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL29528319 1.00 DRD1 (0.35) DRD1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL14498419 0.91 SMN1; SMN2 (0.32) MAPTNPC1RAB9ASMN1; SMN2CNR2
SCHEMBL14498430 0.90 NPC1 (0.32) MAPTNPC1RAB9ASMN1; SMN2CNR2
SCHEMBL14498409 0.90 DRD1 (0.33) DRD1MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL23119029 0.88 P2RY1 (0.31) MAPTNPC1RAB9ASMN1; SMN2P2RY1
SCHEMBL14523590 0.88 P2RY1 (0.31) MAPTNPC1RAB9ASMN1; SMN2P2RY1
SCHEMBL14498394 0.87 DRD1 (0.33) DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115677580-B Quaternary-carbon-containing indandione tetrahydroquinoline spiro alkaloid, preparation method thereof and application thereof in preparation of antitumor drugs 中南民族大学 2025-02-07 CN claimed
CN-115677580-A Tetrahydroquinoline spiro alkaloid containing quaternary carbon indandione, preparation method thereof and application thereof in preparing antitumor drugs 中南民族大学 2023-02-03 CN claimed
CN-115677580-A Tetrahydroquinoline spiro alkaloid containing quaternary carbon indandione, preparation method thereof and application thereof in preparing antitumor drugs 中南民族大学 2023-02-03 CN disclosed
CN-115677580-A Tetrahydroquinoline spiro alkaloid containing quaternary carbon indandione, preparation method thereof and application thereof in preparing antitumor drugs 中南民族大学 2023-02-03 CN disclosed