SCHEMBL11083146

SCHEMBL11083146

CCCNCCCCCC1(C(N)=O)c2ccccc2-c2cc(CC)ccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 1/20 0.36
MTTP P55157 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
DRD3 P35462 1/20 0.35
HDAC3 O15379 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL11085690 0.89 DRD2 (0.42) PDK2MTTPDRD2DRD4DRD3
SCHEMBL11208949 0.81 SIGMAR1 (0.41) MTTP
SCHEMBL10775016 0.79 NPC1 (0.35) PDK2MTTPNPC1ALDH1A1LMNA
SCHEMBL10995584 0.79 APEX1 (0.40) MTTP
SCHEMBL11083125 0.77 MTTP (0.36) MTTP
SCHEMBL11083128 0.77 MTTP (0.36) MTTP
SCHEMBL11315379 0.77 PDK2 (0.40) PDK2NPC1ALDH1A1LMNAMAPT
SCHEMBL11089773 0.76 MAOA (0.49) HDAC3ALDH1A1SMN1; SMN2
SCHEMBL11019261 0.71 APEX1 (0.36) PDK2MTTP
SCHEMBL11086390 0.71 PDK2 (0.36) PDK2MTTP

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