SCHEMBL8544591

SCHEMBL8544591

CC1(C)CC(=O)Nc2cc(Cl)c(C(O)CN3CCC[C@@H](Cc4ccccc4)C3)cc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR3 P51677 5/20 0.36
GRIN2B Q13224 2/20 0.36
BCHE P06276 1/20 0.35
ACLY P53396 1/20 0.35
KDM4E B2RXH2 1/20 0.35
GRIN1 Q05586 1/20 0.35
HTR2A P28223 1/20 0.34

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
SCHEMBL8543293 1.00 CARM1 (0.39) CARM1PRMT6MEN1KMT2ACCR3
SCHEMBL8549242 1.00 CARM1 (0.39) CARM1PRMT6MEN1KMT2ACCR3
SCHEMBL8545545 0.85 CARM1 (0.39) CARM1PRMT6MEN1KMT2ACCR3
SCHEMBL8546379 0.85 CARM1 (0.40) CARM1PRMT6MEN1KMT2ACCR3
SCHEMBL8542663 0.85 CARM1 (0.40) CARM1PRMT6MEN1KMT2ACCR3
SCHEMBL8543540 0.85 CARM1 (0.40) CARM1PRMT6MEN1KMT2ACCR3
SCHEMBL8546372 0.84 LMNA (0.35) MEN1KMT2AKDM4E
SCHEMBL8547535 0.84 LMNA (0.35) MEN1KMT2AKDM4E
SCHEMBL8544587 0.84 LMNA (0.35) MEN1KMT2AKDM4E
SCHEMBL8544708 0.84 GRIN2B (0.45) CARM1PRMT6MEN1KMT2ACCR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0709384-B1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GMBH (DE) 1998-12-23 EP disclosed
US-5698553-A Benzylpiperidine derivatives MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-12-16 US disclosed
EP-0709384-A1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GmbH (DE) 1996-05-01 EP disclosed