SCHEMBL26311187

SCHEMBL26311187

CC(C)N1CCCOCCCn2nccc2C1

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ KCNA5 P22460 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ DRD2 P14416 3/20 0.31
▸ DRD4 P21917 3/20 0.31
▸ DRD3 P35462 3/20 0.31
▸ PRKCG P05129 1/20 0.31
▸ PRKCB P05771 1/20 0.31
▸ PRKCA P17252 1/20 0.31
▸ PDE1A P54750 1/20 0.30
▸ PDE1B Q01064 1/20 0.30
▸ PDE1C Q14123 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
SCHEMBL25784871 0.91 DRD2 (0.34) DRD2DRD4DRD3PDE1APDE1B
SCHEMBL10360901 0.84 DRD2 (0.36) KCNH2DRD2DRD4DRD3
SCHEMBL26302607 0.80 DRD2 (0.33) DRD2DRD4DRD3
SCHEMBL25791832 0.78 DRD2 (0.33) DRD2DRD4DRD3
SCHEMBL19163915 0.75 DRD2 (0.30) DRD2DRD4DRD3
SCHEMBL26302597 0.74 LRRK2 (0.34) —
SCHEMBL21626282 0.73 DRD2 (0.34) DRD2DRD4DRD3
SCHEMBL20682229 0.72 KDM4E (0.33) KCNH2DRD2DRD4DRD3
SCHEMBL25633371 0.71 DRD2 (0.34) DRD2DRD4DRD3
SCHEMBL16320942 0.70 ALDH1A1 (0.37) PRKCGPRKCBPRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023230190-A1 PYRIMIDINE BASED MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-11-30 — — WO disclosed
WO-2023154766-A1 KRAS MODULATORS AND USES THEREOF QUANTA THERAPEUTICS, INC. (US) 2023-08-17 — — WO disclosed
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