SCHEMBL11085690

SCHEMBL11085690

CCCNCCCCC1(C(N)=O)c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.42
DRD4 P21917 1/20 0.42
DRD3 P35462 1/20 0.42
MTTP P55157 1/20 0.40
PAOX Q6QHF9 1/20 0.37
PDK2 Q15119 1/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL11208949 0.92 SIGMAR1 (0.41) MTTPKDM4E
SCHEMBL11083146 0.89 PDK2 (0.36) DRD2DRD4DRD3MTTPPDK2
SCHEMBL10995584 0.89 APEX1 (0.40) MTTP
SCHEMBL11083125 0.84 MTTP (0.36) MTTP
SCHEMBL11083128 0.84 MTTP (0.36) MTTP
SCHEMBL11089773 0.83 MAOA (0.49)
SCHEMBL11019261 0.81 APEX1 (0.36) MTTPPDK2
SCHEMBL11086390 0.80 PDK2 (0.36) MTTPPDK2KDM4E
SCHEMBL11086275 0.78 APEX1 (0.41) MTTPPDK2
SCHEMBL5863866 0.77 APEX1 (0.40) MTTPPDK2

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
US-4452745-A ANTIARRHYTHMIA AGENTS ELI LILLY AND COMPANY (US) 1984-06-05 US disclosed
US-4382093-A 9-Aminoalkylfluorenes ELI LILLY AND COMPANY (US) 1983-05-03 US disclosed
US-4277495-A FLUORENE 9-AMINOALKYL-9-CARBOXYLIC ACIDS OR ESTERS ELI LILLY AND COMPANY (US) 1981-07-07 US disclosed