SCHEMBL7326556

SCHEMBL7326556

CC(=O)NCC(=O)CNc1cccc2c1CCCC2

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.56
LMNA P02545 4/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
THRA P10827 1/20 0.51
THRB P10828 1/20 0.51
RXRA P19793 1/20 0.51
RXRB P28702 1/20 0.51
RXRG P48443 1/20 0.51
HDAC6 Q9UBN7 2/20 0.50
SMN1; SMN2 Q16637 3/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 2/20 0.44
POLB P06746 1/20 0.44
L3MBTL1 Q9Y468 4/20 0.44
TSHR P16473 2/20 0.43
HPGD P15428 1/20 0.42
ATM Q13315 1/20 0.42

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
SCHEMBL7335957 0.85 LMNA (0.67) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL7333321 0.82 ALDH1A1 (0.56) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL28669599 0.81 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL7331010 0.78 RXRA (0.60) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL1638724 0.76 ALDH1A1 (0.72) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL4573751 0.76 RXRA (0.57) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL4877265 0.75 ALDH1A1 (0.70) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL7337542 0.75 ALDH1A1 (0.54) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL30567324 0.73 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ATHRA
SCHEMBL1613763 0.73 ALDH1A1 (0.68) ALDH1A1LMNAMEN1KMT2ATHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5196454-A METHOD OF TREATING DISORDERS OF THE DOPAMINERGIC SYSTEMS USING 2,5-DIAMINOTETRALINES BOEHRINGER INGELHEIM KG (DE) 1993-03-23 US disclosed
EP-0402923-A2 2,5-Diaminotetralines, process for their preparation and their use as medicine BOEHRINGER INGELHEIM KG (DE) 1990-12-19 EP disclosed