SCHEMBL11048530

SCHEMBL11048530

Cc1c(CN(C)C)cccc1-c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 10/20 0.65
PDCD1 Q15116 2/20 0.65
TAAR1 Q96RJ0 1/20 0.46
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
DPP4 P27487 1/20 0.42
HTR7 P34969 2/20 0.42
ALDH1A1 P00352 2/20 0.42
TSHR P16473 2/20 0.42
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL3464186 0.84 DPP4 (0.54) CD274PDCD1TAAR1SLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6048562 0.82 DPP4 (0.52) CD274PDCD1TAAR1SLC6A2SLC6A4
Bromide SCHEMBL27653706 0.82 DPP4 (0.52) CD274PDCD1TAAR1SLC6A2SLC6A4
SCHEMBL11060982 0.82 CD274 (0.61) CD274PDCD1TAAR1HTR7ALDH1A1
SCHEMBL26574289 0.81 PDCD1 (0.46) CD274PDCD1TAAR1SLC6A2SLC6A4
SCHEMBL2487640 0.80 PDCD1 (0.49) CD274PDCD1TAAR1SLC6A2SLC6A4
SCHEMBL14468315 0.80 SLC6A4 (0.46) SLC6A2SLC6A4ALDH1A1TSHRCYP1A2
SCHEMBL29558512 0.79 CD274 (1.00) CD274PDCD1DPP4ALDH1A1
SCHEMBL358303 0.79 CD274 (1.00) CD274PDCD1DPP4ALDH1A1
SCHEMBL607544 0.79 CD274 (0.71) CD274PDCD1DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4473709-A Pyrethroid intermediates and process FMC CORPORATION (US) 1984-09-25 US claimed
EP-0125248-A1 INSECTICIDAL SUBSTITUTED-BIPHENYLMETHYL OXIME ETHERS FMC Corporation (US) 1984-11-21 EP disclosed
US-4473709-A Pyrethroid intermediates and process FMC CORPORATION (US) 1984-09-25 US disclosed
US-4473709-A Pyrethroid intermediates and process FMC CORPORATION (US) 1984-09-25 US disclosed
US-T104301-I4 Process for producing pyrethroid intermediates FMC CORPORATION, A DE CORP. 1984-06-05 US disclosed
WO-1984001772-A1 INSECTICIDAL SUBSTITUTED-BIPHENYLMETHYL OXIME ETHERS FMC CORP (US) 1984-05-10 WO disclosed
US-4434182-A Insecticidal substituted-biphenylmethyl oxime ethers FMC CORPORATION (US) 1984-02-28 US disclosed