SCHEMBL8697885

SCHEMBL8697885

CCc1nc2ccccc2n1C1CCN(C(=O)CCc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FPR2 P25090 9/20 0.53
POLB P06746 1/20 0.52
CACNA1G O43497 1/20 0.49
CACNA1H O95180 1/20 0.49
NPC1 O15118 2/20 0.48
TDP1 Q9NUW8 1/20 0.48
PDE4B Q07343 1/20 0.48
LMNA P02545 2/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
CCR5 P51681 1/20 0.47
TNKS O95271 1/20 0.47
PARP1 P09874 1/20 0.47
PARP2 Q9UGN5 1/20 0.47
MEN1 O00255 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL8697495 0.79 LMNA (0.52) FPR2CACNA1GCACNA1HLMNACCR5
SCHEMBL22623697 0.77 LMNA (0.50) FPR2LMNACCR5MEN1RAB9A
SCHEMBL3990757 0.74 LMNA (0.51) FPR2LMNA
SCHEMBL8538799 0.73 PDE4B (0.53) POLBNPC1TDP1PDE4BLMNA
SCHEMBL21581188 0.73 HDAC6 (0.62) POLBLMNAKMT2A
SCHEMBL16407625 0.73 BRD4 (0.59) FPR2LMNA
SCHEMBL16591625 0.72 POLB (0.69) POLBNPC1TDP1L3MBTL1MEN1
SCHEMBL14028152 0.72 POLB (0.73) POLBNPC1TDP1LMNAL3MBTL1
SCHEMBL6289171 0.72 POLB (0.77) POLBNPC1TDP1L3MBTL1MEN1
SCHEMBL2603249 0.71 POLB (0.68) POLBNPC1TDP1L3MBTL1MEN1

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
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed