SCHEMBL6963644

SCHEMBL6963644

CSc1ccccc1N1CCN(C(=O)Nc2cc3ccccc3nc2C)CC1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
CYP2C19 P33261 1/20 0.48
HTT P42858 1/20 0.48
FAAH O00519 2/20 0.48
TRPV1 Q8NER1 6/20 0.46
PANK3 Q9H999 1/20 0.45
HCAR2 Q8TDS4 3/20 0.44
USP2 O75604 1/20 0.44
RBP4 P02753 1/20 0.44
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
STAT3 P40763 1/20 0.42
ERG P11308 1/20 0.41
SMO Q99835 1/20 0.41

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
SCHEMBL6962010 0.87 RBP4 (0.57) KMT2AMEN1FAAHTRPV1PANK3
SCHEMBL7139727 0.87 RBP4 (0.46) KMT2AMEN1CYP2C19HTTFAAH
SCHEMBL6960999 0.85 KDM4E (0.52) KMT2AMEN1TRPV1PANK3HCAR2
SCHEMBL6961396 0.85 PANK3 (0.63) KMT2AMEN1FAAHTRPV1PANK3
SCHEMBL6952726 0.84 MAPT (0.55) KMT2AMEN1FAAHTRPV1PANK3
SCHEMBL6963523 0.83 MAPT (0.60) FAAHUSP2RBP4ALDH1A1MAPT
SCHEMBL6963652 0.81 HCAR2 (0.44) KMT2AMEN1FAAHTRPV1PANK3
SCHEMBL6961546 0.81 KDM4E (0.48) KMT2AMEN1CYP2C19HTTFAAH
SCHEMBL6958779 0.80 RBP4 (0.49) KMT2AHTTFAAHPANK3HCAR2
SCHEMBL6966961 0.79 RBP4 (0.46) KMT2AMEN1CYP2C19HTTFAAH

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-0850222-B1 PIPERAZINE DERIVATIVES AND PROCESS FOR THE PREPARATION THEREOF SAMJIN PHARM CO LTD (KR) 2003-05-28 EP disclosed
US-6028195-A AN ANTITUMOR AGENT WITH VERY LOW TOXICITIES SAMJIN PHARMACEUTICAL CO., LTD. (KR) 2000-02-22 US disclosed