SCHEMBL8530679

SCHEMBL8530679

O=C1CCC(=O)C(c2cccc(Br)c2)N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.49
POLB P06746 2/20 0.44
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
KDM1A O60341 4/20 0.42
MAPK1 P28482 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
DDB1 Q16531 1/20 0.38
CRBN Q96SW2 1/20 0.38
ALOX5 P09917 1/20 0.38
LMNA P02545 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
MAOA P21397 1/20 0.36

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
SCHEMBL8529904 0.80 KMT2A (0.44) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL8534824 0.80 KMT2A (0.44) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL8533777 0.80 TP53 (0.54) KMT2AKDM4EALDH1A1HPGDTSHR
SCHEMBL18341407 0.80 DDB1 (0.44) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL22201156 0.80 DDB1 (0.44) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL2190167 0.79 SMN1; SMN2 (0.50) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL7480927 0.78 DDB1 (0.43) KMT2AKDM4EALDH1A1HPGDMEN1
SCHEMBL8531687 0.74 TP53 (0.41) KMT2AALDH1A1HPGDTSHRMEN1
SCHEMBL19471140 0.74 POLB (0.47) KMT2APOLBKDM4EALDH1A1HPGD
SCHEMBL3535117 0.71 TDP1 (0.50) KMT2APOLBKDM4EALDH1A1HPGD

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