SCHEMBL8699709

SCHEMBL8699709

CCc1cc(NC(=O)N2CCN(Cc3ccc(OC)cc3)CC2)c(OC)nc1C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 12/20 0.57
PHGDH O43175 1/20 0.49
PRKAB2 O43741 2/20 0.48
PRKAG1 P54619 2/20 0.48
PRKAA2 P54646 2/20 0.48
PRKAA1 Q13131 2/20 0.48
PRKAG3 Q9UGI9 2/20 0.48
PRKAG2 Q9UGJ0 2/20 0.48
PRKAB1 Q9Y478 2/20 0.48
POLB P06746 2/20 0.47
PKM P14618 1/20 0.47
KDM4E B2RXH2 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL8699451 0.91 FAAH (0.51) FAAHPHGDHKDM4EALDH1A1
SCHEMBL8700472 0.91 MAPK1 (0.53) FAAHKDM4EALDH1A1
SCHEMBL8703304 0.86 MAPT (0.55) PHGDHALDH1A1
SCHEMBL9057732 0.83 FAAH (0.54) FAAHPHGDHPKMKDM4EALDH1A1
SCHEMBL9057828 0.83 MAPT (0.53) ALDH1A1
SCHEMBL6960671 0.83 KMT2A (0.47) PHGDHPOLBKDM4EALDH1A1
SCHEMBL8701376 0.82 RBP4 (0.48) KDM4EALDH1A1
SCHEMBL8701048 0.82 THRB (0.47) POLBALDH1A1
SCHEMBL8702748 0.81 RBP4 (0.45) POLBKDM4EALDH1A1
SCHEMBL8703751 0.80 MAPT (0.48) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5780472-A ANTITUMOR AGENTS SAMJIN PHARMACEUTICAZL CO., LTD. (KR) 1998-07-14 US disclosed
EP-0749425-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARM. CO., LTD. (KR) 1996-12-27 EP disclosed
WO-1996021648-A1 NEW PIPERAZINE DERIVATIVES AND METHODS FOR THE PREPARATION THEREOF AND COMPOSITIONS CONTAINING THE SAME SAMJIN PHARMACEUTICAL CO., LTD. (KR) 1996-07-18 WO disclosed