SCHEMBL8546379

SCHEMBL8546379

CC1(C)CC(=O)Nc2ccc(C(O)CN3CCC[C@H](Cc4ccccc4)C3)c(Cl)c21

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CCR3 P51677 5/20 0.37
BCHE P06276 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HTR2A P28223 1/20 0.35
ACHE P22303 1/20 0.35
TMEM97 Q5BJF2 1/20 0.34
SIGMAR1 Q99720 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
SCHEMBL8543540 1.00 CARM1 (0.40) CARM1PRMT6MEN1KMT2ACCR3
SCHEMBL8542663 1.00 CARM1 (0.40) CARM1PRMT6MEN1KMT2ACCR3
SCHEMBL8544591 0.85 CARM1 (0.39) CARM1PRMT6MEN1KMT2ACCR3
SCHEMBL8543293 0.85 CARM1 (0.39) CARM1PRMT6MEN1KMT2ACCR3
SCHEMBL8549242 0.85 CARM1 (0.39) CARM1PRMT6MEN1KMT2ACCR3
SCHEMBL8542964 0.84 GRIN2B (0.40) CARM1PRMT6MEN1KMT2ACCR3
SCHEMBL8589623 0.84 GRIN2B (0.40) CARM1PRMT6MEN1KMT2ACCR3
SCHEMBL8549610 0.82 CARM1 (0.41) CARM1PRMT6KMT2ACCR3BCHE
SCHEMBL8545545 0.81 CARM1 (0.39) CARM1PRMT6MEN1KMT2ACCR3
SCHEMBL8543294 0.79 CARM1 (0.40) 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