SCHEMBL4759640

SCHEMBL4759640

CN(C(=O)N1CCNCC1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.58
KDM4E B2RXH2 2/20 0.56
SIGMAR1 Q99720 1/20 0.53
FAAH O00519 1/20 0.50
POLB P06746 1/20 0.47
REN P00797 1/20 0.47
AGTR2 P50052 1/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HDAC3 O15379 1/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC2 Q92769 1/20 0.43
HDAC6 Q9UBN7 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
Hydrochloric Acid SCHEMBL4711746 0.98 GAA (0.57) GAAKDM4ESIGMAR1FAAHPOLB
SCHEMBL5790683 0.86 SIGMAR1 (0.45) GAAKDM4ESIGMAR1FAAHPOLB
SCHEMBL654531 0.85 GAA (0.59) GAAKDM4ESIGMAR1ALDH1A1HSD17B10
SCHEMBL27503889 0.84 GAA (0.63) GAAKDM4EFAAHPOLBAGTR2
SCHEMBL4558443 0.84 SIGMAR1 (0.50) GAAKDM4ESIGMAR1POLBREN
SCHEMBL3762322 0.84 GAA (0.43) GAAKDM4ESIGMAR1FAAHPOLB
SCHEMBL7388960 0.83 ALDH1A1 (0.61) GAASIGMAR1POLBAGTR2ALDH1A1
SCHEMBL15824964 0.82 MKNK1 (0.50) GAAKDM4ESIGMAR1RENALDH1A1
SCHEMBL14590537 0.81 GAA (0.64) GAAKDM4EFAAHPOLBAGTR2
SCHEMBL18390307 0.81 GAA (0.64) GAAKDM4EFAAHPOLBAGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1879877-A2 ANTIMICROBIAL AGENTS Ranbaxy Laboratories Limited (IN) 2008-01-23 EP claimed
WO-2006117762-A2 ANTIMICROBIAL AGENTS RANBAXY LABORATORIES LIMITED (IN) 2006-11-09 WO claimed
WO-2017011776-A1 SUBSTITUTED PYRAZOLO[1,5-A]PYRIDINE COMPOUNDS AS RET KINASE INHIBITORS ARRAY BIOPHARMA, INC. (US) 2017-01-19 WO disclosed
EP-2935269-A1 THERAPEUTICALLY ACTIVE PYRAZOLO-PYRIMIDINE DERIVATIVES UCB Biopharma SPRL (BE) 2015-10-28 EP disclosed
EP-2776445-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB Pharma, S.A. (BE) 2014-09-17 EP disclosed
WO-2014096423-A1 THERAPEUTICALLY ACTIVE PYRAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2014-06-26 WO disclosed
WO-2013068458-A1 THERAPEUTICALLY ACTIVE THIAZOLO-PYRIMIDINE DERIVATIVES UCB PHARMA S.A. (BE) 2013-05-16 WO disclosed