SCHEMBL8700472

SCHEMBL8700472

CCc1cc(NC(=O)N2CCN(Cc3ccccc3)CC2)c(OC)nc1C

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.53
KDM4E B2RXH2 3/20 0.53
ALDH1A1 P00352 2/20 0.53
USP2 O75604 1/20 0.53
LMNA P02545 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
FAAH O00519 14/20 0.53
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL8699709 0.91 FAAH (0.57) KDM4EALDH1A1FAAH
SCHEMBL8699451 0.90 FAAH (0.51) MAPK1KDM4EALDH1A1FAAH
SCHEMBL9057732 0.88 FAAH (0.54) MAPK1KDM4EALDH1A1LMNAALOX15
SCHEMBL8704931 0.86 RBP4 (0.57) MAPK1KDM4EALDH1A1USP2LMNA
SCHEMBL8704718 0.84 FAAH (0.49) MAPK1KDM4EALDH1A1LMNAALOX15
SCHEMBL8700940 0.83 RBP4 (0.61) MAPK1KDM4EALDH1A1LMNAMEN1
SCHEMBL8703773 0.82 RBP4 (0.51) MAPK1KDM4EALDH1A1USP2LMNA
SCHEMBL8705064 0.82 HTR1A (0.52) MAPK1KDM4EALDH1A1USP2LMNA
SCHEMBL8705983 0.81 MAPT (0.57) MAPK1KDM4EALDH1A1USP2HSD17B10
SCHEMBL8699402 0.81 KMT2A (0.49) MAPK1KDM4EALDH1A1USP2LMNA

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