SCHEMBL26238524

SCHEMBL26238524

COCC1COc2ccccc2CN1C

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX7 Q99572 1/20 0.36
▸ LTA4H P09960 2/20 0.36
▸ CHRNB4 P30926 2/20 0.35
▸ CHRNA3 P32297 2/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ SIGMAR1 Q99720 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL18733781 0.83 DRD2 (0.38) CHRNB4CHRNA3CHRNB2CHRNA4SIGMAR1
SCHEMBL17957942 0.77 RARA (0.41) LTA4H
SCHEMBL17957943 0.77 RARA (0.41) LTA4H
SCHEMBL17991535 0.76 ALOX15 (0.40) GAA
SCHEMBL17957744 0.75 HDAC6 (0.44) —
SCHEMBL17957746 0.75 HDAC6 (0.44) —
SCHEMBL17958061 0.75 HDAC6 (0.44) —
SCHEMBL15222074 0.74 SMN1; SMN2 (0.41) CHRNB4CHRNA3CHRNB2CHRNA4SIGMAR1
SCHEMBL13091467 0.68 SIGMAR1 (0.36) SIGMAR1POLB
SCHEMBL25082430 0.67 SIGMAR1 (0.47) P2RX7LTA4HSIGMAR1

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-2023168298-A2 COMPOUNDS, COMPOSITIONS, AND METHODS DENALI THERAPEUTICS INC. (US) 2023-09-07 — — WO disclosed
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