SCHEMBL8545545

SCHEMBL8545545

CC1(C)CC(=O)Nc2c(C(O)CN3CCCC(Cc4ccccc4)C3)cc(Cl)cc21

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
ACLY P53396 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
CCR3 P51677 5/20 0.36
BCHE P06276 1/20 0.35
SPR P35270 1/20 0.35
KDM4E B2RXH2 1/20 0.35
HTR2A P28223 1/20 0.34
GRIN2B Q13224 1/20 0.34
CYP2D6 P10635 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
SCHEMBL8548411 0.93 CARM1 (0.43) CARM1PRMT6ACLYCCR3BCHE
SCHEMBL8591796 0.93 CARM1 (0.43) CARM1PRMT6ACLYCCR3BCHE
SCHEMBL8543130 0.87 MEN1 (0.41) CARM1PRMT6ACLYMEN1KMT2A
SCHEMBL8544991 0.87 MEN1 (0.41) CARM1PRMT6ACLYMEN1KMT2A
SCHEMBL8544988 0.87 MEN1 (0.41) CARM1PRMT6ACLYMEN1KMT2A
SCHEMBL8543293 0.85 CARM1 (0.39) CARM1PRMT6ACLYMEN1KMT2A
SCHEMBL8549242 0.85 CARM1 (0.39) CARM1PRMT6ACLYMEN1KMT2A
SCHEMBL8544591 0.85 CARM1 (0.39) CARM1PRMT6ACLYMEN1KMT2A
SCHEMBL8541670 0.85 GRIN2B (0.48) MEN1KMT2AKDM4EGRIN2B
SCHEMBL8543294 0.84 CARM1 (0.40) CARM1PRMT6ACLYMEN1KMT2A

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-0709384-B1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GMBH (DE) 1998-12-23 EP disclosed
EP-0709384-A1 Benzylpiperidine derivatives having high affinity for binding sites of aminoacid receptors MERCK PATENT GmbH (DE) 1996-05-01 EP disclosed