SCHEMBL31633103

SCHEMBL31633103

OC1CCN(c2nc3ccccc3n2CC2CC2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.49
▸ BAZ2A Q9UIF9 1/20 0.49
▸ HTR3A P46098 2/20 0.49
▸ HRH1 P35367 7/20 0.48
▸ CYP2D6 P10635 6/20 0.48
▸ KCNH2 Q12809 5/20 0.48
▸ CHRM1 P11229 1/20 0.47
▸ PRKACA P17612 1/20 0.45
▸ RPS6KB1 P23443 1/20 0.45
▸ GSK3B P49841 1/20 0.45
▸ ROCK1 Q13464 1/20 0.45

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
SCHEMBL15962956 0.85 HTR3A (0.51) HTR3AHRH1CYP2D6KCNH2CHRM1
SCHEMBL15963178 0.84 SMN1; SMN2 (0.60) HTR3A
SCHEMBL7166739 0.84 — —
SCHEMBL7166738 0.84 — —
SCHEMBL15962963 0.82 HRH1 (0.46) HTR3AHRH1CYP2D6KCNH2CHRM1
SCHEMBL15963186 0.82 CYP2D6 (0.47) HRH1CYP2D6
SCHEMBL15963177 0.81 NPSR1 (0.47) HTR3AHRH1CYP2D6KCNH2CHRM1
SCHEMBL5229655 0.80 HRH1 (0.73) HTR3AHRH1CYP2D6KCNH2CHRM1
SCHEMBL15963180 0.80 CYP2D6 (0.47) HRH1CYP2D6KCNH2
Iodide SCHEMBL7625258 0.79 HTR3A (0.59) HTR3A

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-2025129167-A1 INHIBITORS OF THE SURFACE EXPRESSION OF THE VOLTAGE-GATED SODIUM ION CHANNEL 1.7 (NAV1.7) AND THEIR THERAPEUTIC USES THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPT. OF HEALTH AND HUMAN SERVICES (US) 2025-06-19 — — WO disclosed
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