SCHEMBL8544988

SCHEMBL8544988

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GRIN2B Q13224 2/20 0.36
BCHE P06276 2/20 0.35
ACHE P22303 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HTR2B P41595 1/20 0.35
MAPK14 Q16539 1/20 0.35
SPR P35270 1/20 0.35
ACLY P53396 1/20 0.35
CCR2 P41597 1/20 0.35
KCNH2 Q12809 1/20 0.35
CCR3 P51677 1/20 0.35
HTR1A P08908 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL8544991 1.00 MEN1 (0.41) MEN1KMT2ACARM1PRMT6KDM4E
SCHEMBL8543130 1.00 MEN1 (0.41) MEN1KMT2ACARM1PRMT6KDM4E
SCHEMBL8591795 0.93 CARM1 (0.43) CARM1PRMT6GRIN2BBCHECCR2
SCHEMBL8548407 0.93 CARM1 (0.43) CARM1PRMT6GRIN2BBCHECCR2
SCHEMBL8545545 0.87 CARM1 (0.39) MEN1KMT2ACARM1PRMT6KDM4E
SCHEMBL8543294 0.86 CARM1 (0.40) MEN1KMT2ACARM1PRMT6KDM4E
SCHEMBL8541668 0.85 GRIN2B (0.51) MEN1KMT2AKDM4EGRIN2BCYP2C9
SCHEMBL8543293 0.83 CARM1 (0.39) MEN1KMT2ACARM1PRMT6KDM4E
SCHEMBL8549242 0.83 CARM1 (0.39) MEN1KMT2ACARM1PRMT6KDM4E
SCHEMBL8544591 0.83 CARM1 (0.39) MEN1KMT2ACARM1PRMT6KDM4E

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