SCHEMBL18082571

SCHEMBL18082571

CC[C@H]1CCCN(CCN(CCOC)CCOC)C1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 7/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PIK3CD O00329 1/20 0.34
PIK3R2 O00459 1/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
PIK3CG P48736 1/20 0.34
PIK3R5 Q8WYR1 1/20 0.34
PIK3R3 Q92569 1/20 0.34
CARM1 Q86X55 1/20 0.32
PRMT6 Q96LA8 1/20 0.32
ACHE P22303 1/20 0.32
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
SLC6A3 Q01959 1/20 0.31
KDM2B Q8NHM5 1/20 0.31
KAT2B Q92831 1/20 0.31

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
SCHEMBL12424240 0.84 BCHE (0.41) BCHEMEN1KMT2ACARM1PRMT6
SCHEMBL24461460 0.84 BCHE (0.41) BCHEMEN1KMT2ACARM1PRMT6
SCHEMBL12992 0.82 KDM4E (0.45) KMT2A
SCHEMBL12939 0.82 KDM4E (0.45) KMT2A
SCHEMBL18772845 0.80 CHRM5 (0.39) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL18082563 0.79 BCHE (0.38) BCHEMEN1KMT2AKDM2BKAT2B
SCHEMBL13152 0.76 SLC6A3 (0.40) SLC6A2SLC6A4SLC6A3
SCHEMBL18082565 0.74 GBA1 (0.38) MEN1KMT2ACARM1PRMT6KDM2B
SCHEMBL12458880 0.74 GBA1 (0.38) MEN1KMT2ACARM1PRMT6KDM2B
SCHEMBL10077156 0.73 DRD4 (0.50) BCHE

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
EP-2499146-B1 TRICYCLIC PYRAZOL AMINE DERIVATIVES MERCK SERONO SA (CH) 2016-09-21 EP disclosed