SCHEMBL8699451

SCHEMBL8699451

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

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.51
MAPK1 P28482 1/20 0.49
GPR6 P46095 1/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
EEF2K O00418 1/20 0.47
PHGDH O43175 1/20 0.46

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) FAAHKDM4EALDH1A1PHGDH
SCHEMBL8700472 0.90 MAPK1 (0.53) FAAHMAPK1KDM4EALDH1A1
SCHEMBL8704891 0.86 MAPT (0.53) KDM4EALDH1A1
SCHEMBL9057732 0.85 FAAH (0.54) FAAHMAPK1KDM4EALDH1A1PHGDH
SCHEMBL8699306 0.81 MAPT (0.42) MAPK1KDM4EALDH1A1
SCHEMBL8704718 0.80 FAAH (0.49) FAAHMAPK1KDM4EALDH1A1PHGDH
SCHEMBL8704636 0.79 KMT2A (0.57) KDM4EALDH1A1
SCHEMBL8699401 0.79 MAPT (0.49) MAPK1ALDH1A1PHGDH
SCHEMBL8699278 0.78 KMT2A (0.42) FAAHMAPK1KDM4EALDH1A1
SCHEMBL8699435 0.78 RBP4 (0.49) MAPK1KDM4EALDH1A1PHGDH

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 2 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
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