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SCHEMBL30453495

SCHEMBL30453495

CC(C)Oc1ccccc1[C@@H]1CN(Cc2ccc(F)c(F)c2)CCN1

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 4/20 0.41
▸ ALDH1A1 P00352 2/20 0.39
▸ HTT P42858 1/20 0.39
▸ DRD2 P14416 1/20 0.39
▸ ADRA1D P25100 1/20 0.39
▸ ADRA1A P35348 1/20 0.39
▸ ADRA1B P35368 1/20 0.39
▸ MLNR O43193 3/20 0.38
▸ HTR6 P50406 2/20 0.37

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
SCHEMBL25353198 1.00 DRD4 (0.41) DRD4ALDH1A1HTTDRD2ADRA1D
SCHEMBL30454084 1.00 DRD4 (0.41) DRD4ALDH1A1HTTDRD2ADRA1D
SCHEMBL25285176 1.00 DRD4 (0.41) DRD4ALDH1A1HTTDRD2ADRA1D
SCHEMBL25354316 0.84 ALDH1A1 (0.41) DRD4ALDH1A1HTTMLNR
SCHEMBL25355099 0.84 ALDH1A1 (0.41) DRD4ALDH1A1HTTMLNR
SCHEMBL25353488 0.83 CYP2D6 (0.46) DRD4ALDH1A1HTTDRD2ADRA1D
SCHEMBL25354841 0.83 MEN1 (0.48) DRD2ADRA1DADRA1AADRA1B
SCHEMBL25353494 0.83 CYP2D6 (0.46) DRD4ALDH1A1HTTDRD2ADRA1D
SCHEMBL25354844 0.83 MEN1 (0.48) DRD2ADRA1DADRA1AADRA1B
SCHEMBL30453323 0.83 CYP2D6 (0.46) DRD4ALDH1A1HTTDRD2ADRA1D

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-2023122000-A1 BCL-2 INHIBITORS NEWAVE PHARMACEUTICAL INC. (US) 2023-06-29 — — WO disclosed