SCHEMBL8530265

SCHEMBL8530265

COc1ccc(C2NC(=O)CCC2=O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 2/20 0.50
CRBN Q96SW2 2/20 0.50
KDM4E B2RXH2 4/20 0.49
GAA P10253 2/20 0.49
ALDH1A1 P00352 5/20 0.46
TP53 P04637 2/20 0.46
TUBB4A P04350 1/20 0.43
TUBB P07437 1/20 0.43
TUBA3C P0DPH7 1/20 0.43
TUBA1B P68363 1/20 0.43
TUBA4A P68366 1/20 0.43
TUBB4B P68371 1/20 0.43
TUBB3 Q13509 1/20 0.43
TUBB2A Q13885 1/20 0.43
TUBB8 Q3ZCM7 1/20 0.43
TUBA3E Q6PEY2 1/20 0.43
TUBA1A Q71U36 1/20 0.43
TUBA1C Q9BQE3 1/20 0.43
TUBB6 Q9BUF5 1/20 0.43
TUBB2B Q9BVA1 1/20 0.43

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
SCHEMBL9024296 0.80 ALDH1A1 (0.46) DDB1CRBNKDM4EGAAALDH1A1
SCHEMBL8530170 0.80 DDB1 (0.44) DDB1CRBNKDM4EGAAALDH1A1
SCHEMBL8530171 0.80 DDB1 (0.44) DDB1CRBNKDM4EGAAALDH1A1
SCHEMBL3657517 0.79 CRBN (0.58) DDB1CRBNKDM4EGAAALDH1A1
SCHEMBL2190167 0.77 SMN1; SMN2 (0.50) DDB1CRBNKDM4EGAAALDH1A1
SCHEMBL6098240 0.77 TP53 (0.44) DDB1CRBNGAAALDH1A1TP53
SCHEMBL10536959 0.76 KDM4E (0.56) DDB1CRBNKDM4EGAAALDH1A1
SCHEMBL7480927 0.76 DDB1 (0.43) DDB1CRBNKDM4EGAAALDH1A1
SCHEMBL8530263 0.72 ESR1 (0.44) DDB1CRBNGAAALDH1A1MAPT
SCHEMBL9023999 0.71 ESR1 (0.43) DDB1CRBNGAAALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5843966-A Piperidine derivatives GLAXO GROUP LIMITED (GB) 1998-12-01 US disclosed
EP-0720609-B1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LTD (GB) 1998-11-11 EP disclosed
US-5703240-A ANALGESICS; ANTIINFLAMMATORY AGENTS; NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS; GASTROINTESTINAL DISORDERS GLAXO GROUP LIMITED (GB) 1997-12-30 US disclosed
EP-0720609-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1996-07-10 EP disclosed
WO-1995008549-A1 3-(5-TETRAZOLYL-BENZYL)AMINO-PIPERIDINE DERIVATIVES AND ANTAGONISTS OF TACHYKININS GLAXO GROUP LIMITED (GB) 1995-03-30 WO disclosed