SCHEMBL25081007

SCHEMBL25081007

N#CCC1CN(Cc2ccccc2)CCCO1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 12/20 0.56
CYP1A2 P05177 2/20 0.50
CYP3A4 P08684 2/20 0.50
CYP2D6 P10635 2/20 0.50
CYP2C9 P11712 1/20 0.50
DRD2 P14416 3/20 0.49
DRD3 P35462 3/20 0.49
SIGMAR1 Q99720 1/20 0.48
CYP2C19 P33261 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CNR2 P34972 1/20 0.44

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
SCHEMBL6203773 0.92 DRD4 (0.66) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL3443710 0.83 DRD4 (0.61) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7368320 0.82 DRD4 (0.59) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13229950 0.82 DRD4 (0.59) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL7372946 0.80 DRD4 (0.72) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL23115258 0.78 DRD4 (0.50) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL31421387 0.78 DRD4 (0.44) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL30194850 0.77 DRD4 (0.56) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5870772 0.77 DRD4 (0.54) DRD4CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL16932256 0.77 DRD4 (0.56) DRD4CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4622716-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2025-10-01 EP disclosed
WO-2024112654-A1 SPIROCYCLIC DIHYDROPYRANOPYRIMIDINE KRAS INHIBITORS Treeline Biosciences, Inc. (US) 2024-05-30 WO disclosed
WO-2023020519-A1 1, 4-OXAZEPANE DERIVATIVES AND USES THEREOF JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2023-02-23 WO disclosed