SCHEMBL8543711

SCHEMBL8543711

Cc1ncn(CCC2CCNCC2)c1C

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
HTT P42858 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NMT1 P30419 7/20 0.38
FDPS P14324 1/20 0.38
NR3C1 P04150 1/20 0.37
BRD4 O60885 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
SLC6A4 P31645 1/20 0.35
MERTK Q12866 1/20 0.34
GNAO1 P09471 1/20 0.34
TLR7 Q9NYK1 1/20 0.34
QPCT Q16769 1/20 0.33

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
SCHEMBL2237220 0.75 KMT2A (0.47) TSHRNMT1FDPSBRD4
SCHEMBL7940932 0.75 QPCT (0.48) HRH3QPCT
SCHEMBL7931377 0.73 SLC6A4 (0.39) NMT1BRD4HRH3SLC6A4MERTK
SCHEMBL8539959 0.72 LMNA (0.76) LMNATSHRHTTNPSR1SLC6A4
SCHEMBL3520240 0.72 SRC (0.38) LMNATSHRHTTNPSR1NR3C1
SCHEMBL18256012 0.71 CYP11B2 (0.44) LMNATSHRHTTNPSR1FDPS
SCHEMBL20011450 0.71 CYP11B2 (0.41) LMNATSHRHTTNPSR1FDPS
SCHEMBL10417634 0.70 BRD4 (0.43) NR3C1BRD4HRH3SLC6A4GNAO1
SCHEMBL3516432 0.69 ADORA2A (0.56) LMNA
SCHEMBL10417947 0.69 SMN1; SMN2 (0.47) NMT1NR3C1BRD4HRH3SLC6A4

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-0705258-B1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1998-12-30 EP disclosed
WO-1995000507-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed