SCHEMBL11819301

SCHEMBL11819301

CCC1(CC)Oc2cc(C)cc(O)c2C2=C1CN(Cc1ccccc1)CC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 2/20 0.45
▸ CNR2 P34972 2/20 0.38
▸ MEN1 O00255 3/20 0.37
▸ KMT2A Q03164 3/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ DRD2 P14416 1/20 0.36
▸ DRD3 P35462 1/20 0.36
▸ ACHE P22303 1/20 0.36
▸ LMNA P02545 3/20 0.34
▸ POLB P06746 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ COMT P21964 1/20 0.34
▸ HTT P42858 2/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ MAPT P10636 2/20 0.33
▸ ADORA1 P30542 1/20 0.33
▸ KDM4E B2RXH2 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
SCHEMBL11815689 0.82 CNR2 (0.50) DRD4CNR2MEN1KMT2ACNR1
SCHEMBL11816682 0.71 CNR2 (0.49) CNR2CNR1
SCHEMBL11716511 0.69 CNR2 (0.62) CNR2CNR1
SCHEMBL11627150 0.65 CNR2 (0.51) CNR2CNR1
SCHEMBL1147448 0.62 SIGMAR1 (0.50) DRD4MEN1KMT2ADRD3ACHE
SCHEMBL12002187 0.62 SIGMAR1 (0.50) DRD4MEN1KMT2AACHELMNA
SCHEMBL5621315 0.61 SIGMAR1 (0.57) DRD4MEN1KMT2AACHELMNA
SCHEMBL27645025 0.61 DRD4 (0.56) DRD4MEN1KMT2AGAADRD3
SCHEMBL10142868 0.60 SIGMAR1 (0.55) DRD4MEN1KMT2ADRD3ACHE
SCHEMBL6710633 0.60 DRD2 (0.54) DRD4GAADRD2DRD3LMNA

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
US-3962448-A CNS DEPRESSANTS, VETERINARY SMITHKLINE CORPORATION (US) 1976-06-08 — — US disclosed
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