SCHEMBL9016350

SCHEMBL9016350

CCc1cc(NC(=O)N2CCN(C3CNCCN3c3ccccc3OC)CC2)c(OC)nc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.41
TDP1 Q9NUW8 1/20 0.41
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
TP53 P04637 1/20 0.40
HTT P42858 1/20 0.40
PKM P14618 1/20 0.40
MAPK1 P28482 1/20 0.40
RAB9A P51151 1/20 0.40
FAAH O00519 2/20 0.39
RBP4 P02753 1/20 0.39
P2RY12 Q9H244 1/20 0.38
POLB P06746 1/20 0.38
ALDH1A1 P00352 2/20 0.38
USP2 O75604 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL8705983 0.83 MAPT (0.57) SMN1; SMN2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL8701100 0.82 MAPT (0.39) MEN1KMT2AMAPTLMNATP53
SCHEMBL8704718 0.79 FAAH (0.49) SMN1; SMN2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL8699278 0.79 KMT2A (0.42) SMN1; SMN2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL9057833 0.78 RBP4 (0.50) SMN1; SMN2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL6963593 0.77 MAPT (0.54) KMT2AKDM4EMAPTPKMRAB9A
SCHEMBL8704176 0.77 MAPT (0.55) SMN1; SMN2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL8704504 0.77 MAPT (0.54) MEN1KMT2AL3MBTL1KDM4EMAPT
SCHEMBL9057732 0.77 FAAH (0.54) SMN1; SMN2MEN1KMT2AL3MBTL1KDM4E
SCHEMBL8705064 0.77 HTR1A (0.52) SMN1; SMN2KMT2AKDM4EMAPTLMNA

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
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