SCHEMBL11089773

SCHEMBL11089773

NC(=O)C1(CCCCNCc2ccccc2)c2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.49
HDAC3 O15379 2/20 0.48
HDAC1 Q13547 2/20 0.48
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
NCOR2 Q9Y618 2/20 0.48
CHRM2 P08172 1/20 0.47
SIGMAR1 Q99720 3/20 0.45
ACHE P22303 5/20 0.45
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DPP8 Q6V1X1 1/20 0.41
DPP9 Q86TI2 1/20 0.41
DPP7 Q9UHL4 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
BCHE P06276 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
SCHEMBL10995584 0.84 APEX1 (0.40) KMT2ATDP1
SCHEMBL11085690 0.83 DRD2 (0.42)
SCHEMBL11208949 0.80 SIGMAR1 (0.41) HDAC1HDAC2SIGMAR1
SCHEMBL11090044 0.80 CCR6 (0.45) MAOAHDAC3HDAC1HDAC2HDAC8
SCHEMBL11019261 0.80 APEX1 (0.36) KMT2ATDP1
SCHEMBL11083128 0.78 MTTP (0.36) KMT2A
SCHEMBL11083125 0.78 MTTP (0.36) KMT2A
SCHEMBL11086275 0.77 APEX1 (0.41) KMT2ATDP1
SCHEMBL5863866 0.76 APEX1 (0.40) KMT2ATDP1
SCHEMBL11083146 0.76 PDK2 (0.36) HDAC3ALDH1A1SMN1; SMN2

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