SCHEMBL19634709

SCHEMBL19634709

CCCN1CCN(C(=O)c2cccc(CN)c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
LMNA P02545 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 1/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
PARP1 P09874 1/20 0.55
KCNH2 Q12809 1/20 0.53
SIGMAR1 Q99720 1/20 0.50
POLB P06746 1/20 0.49
TP53 P04637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48
NPC1 O15118 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47

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
SCHEMBL19634706 0.88 PARP1 (0.58) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL10720054 0.87 LMNA (0.61) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL19634649 0.87 MEN1 (0.50) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL2322582 0.86 SMN1; SMN2 (0.57) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL19634743 0.86 MEN1 (0.52) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL19634643 0.84 DRD3 (0.52) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL19634465 0.84 KMT2A (0.50) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL19634710 0.83 MEN1 (0.54) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL19634707 0.83 MEN1 (0.60) MEN1KMT2ALMNASMN1; SMN2TSHR
SCHEMBL24732812 0.82 HPGD (0.59) MEN1KMT2ALMNASMN1; SMN2TSHR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed