SCHEMBL9096047

SCHEMBL9096047

O=C1Cc2cc(C(F)(F)F)ccc2N1CCN1CCN(Cc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 4/20 0.58
▸ DRD4 P21917 2/20 0.58
▸ DRD3 P35462 3/20 0.53
▸ CHRM2 P08172 1/20 0.53
▸ CHRM4 P08173 1/20 0.53
▸ CHRM5 P08912 1/20 0.53
▸ CHRM1 P11229 1/20 0.53
▸ CHRM3 P20309 1/20 0.53
▸ DRD5 P21918 2/20 0.53
▸ LMNA P02545 3/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GAA P10253 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ SRPK1 Q96SB4 3/20 0.46
▸ ADRA1B P35368 1/20 0.45
▸ ACHE P22303 2/20 0.45
▸ MAPT P10636 2/20 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
Hydrochloric Acid SCHEMBL9384289 0.99 DRD2 (0.57) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL9096134 0.85 DRD2 (0.62) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL9096977 0.83 DRD2 (0.65) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL9095908 0.83 DRD2 (0.62) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL9097905 0.83 DRD2 (0.62) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL9096312 0.83 DRD2 (0.62) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL9096389 0.82 DRD2 (0.83) DRD2DRD4DRD3CHRM2CHRM4
Hydrochloric Acid SCHEMBL9098451 0.82 DRD4 (0.61) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL9094905 0.82 DRD4 (0.64) DRD2DRD4DRD3CHRM2CHRM4
Hydrochloric Acid SCHEMBL9096256 0.81 DRD2 (0.81) DRD2DRD4DRD3CHRM2CHRM4

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-5585378-A Composition containing an oxoindole compound AKTIEBOLAGET ASTRA (SE) 1996-12-17 — — US disclosed
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