SCHEMBL4301970

SCHEMBL4301970

CCCCCCCCCCCCCC(=O)N1CCCN(Cc2ccccc2)C(C)C1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
L3MBTL1 Q9Y468 2/20 0.46
HRH2 P25021 1/20 0.46
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
ABL1 P00519 1/20 0.43
RIN1 Q13671 1/20 0.43

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
SCHEMBL4301981 1.00 HPGD (0.48) HPGDSMN1; SMN2L3MBTL1HRH2MEN1
SCHEMBL4307522 0.93 CHRM1 (0.49) HPGDSMN1; SMN2MAPTSIGMAR1ABL1
SCHEMBL4308949 0.93 CHRM1 (0.49) HPGDSMN1; SMN2MAPTSIGMAR1ABL1
SCHEMBL4030458 0.81 HRH2 (0.54) HPGDSMN1; SMN2HRH2MEN1KMT2A
SCHEMBL4305129 0.81 SIGMAR1 (0.48) HPGDMEN1KMT2AMAPTSIGMAR1
SCHEMBL4301863 0.81 SIGMAR1 (0.48) HPGDMEN1KMT2AMAPTSIGMAR1
SCHEMBL4299821 0.76 L3MBTL1 (0.50) L3MBTL1MEN1KMT2APOLBMAPT
SCHEMBL14301937 0.75 HTR7 (0.59) HPGDSMN1; SMN2MEN1KMT2APOLB
SCHEMBL4301850 0.75 MEN1 (0.60) L3MBTL1MEN1KMT2APOLBMAPT
SCHEMBL8210708 0.74 HRH2 (0.50) HRH2

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-2054398-A1 NEW HETEROCYCLIC COMPOUNDS CONTAINING NITROGEN ATOMS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR TREATMENT OF CANCER Korea Research Institute of Bioscience and Biotechnology (KR) 2009-05-06 EP disclosed
WO-2008018778-A1 NEW HETEROCYCLIC COMPOUNDS CONTAINING NITROGEN ATOMS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FOR TREATMENT OF CANCER KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) 2008-02-14 WO disclosed