SCHEMBL7986503

SCHEMBL7986503

C[C@@H]1CN(CCCN2C(=O)c3ccccc3C2=O)C[C@H](C)N1Cc1ccccc1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.56
ALDH1A1 P00352 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
HTR1A P08908 1/20 0.50
ACHE P22303 1/20 0.50

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
SCHEMBL7986506 1.00 KDM4E (0.56) KDM4EALDH1A1TDP1HTR1AACHE
SCHEMBL3962101 0.84 KDM4E (0.60) KDM4EALDH1A1TDP1HTR1A
SCHEMBL7985675 0.81 SIGMAR1 (0.58) KDM4EALDH1A1TDP1
SCHEMBL7985669 0.81 SIGMAR1 (0.58) KDM4EALDH1A1TDP1
SCHEMBL7986141 0.78 SIGMAR1 (0.50) ACHE
SCHEMBL7986145 0.78 SIGMAR1 (0.50) ACHE
SCHEMBL7986385 0.78 ADRA1D (0.70)
SCHEMBL7983385 0.78 SIGMAR1 (0.55) KDM4EALDH1A1TDP1HTR1AACHE
SCHEMBL7983388 0.78 SIGMAR1 (0.55) KDM4EALDH1A1TDP1HTR1AACHE
SCHEMBL3961898 0.77 ALDH1A1 (0.59) KDM4EALDH1A1TDP1HTR1A

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-6235731-B1 REDUCING BLOOD LIPIDS, SUGARS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-05-22 US disclosed