SCHEMBL8546372

SCHEMBL8546372

CC1(C)CC(=O)Nc2cc(Cl)c(C(O)CN3CCCC[C@@H]3Cc3ccccc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.35
ATM Q13315 4/20 0.34
PIK3C3 Q8NEB9 4/20 0.34
ATR Q13535 1/20 0.34
CASR P41180 1/20 0.34
KCNJ1 P48048 1/20 0.33
PRKDC P78527 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
OPRD1 P41143 1/20 0.33

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
SCHEMBL8547535 1.00 LMNA (0.35) LMNAATMPIK3C3ATRCASR
SCHEMBL8544587 1.00 LMNA (0.35) LMNAATMPIK3C3ATRCASR
SCHEMBL8543536 0.84 LMNA (0.36) LMNAATMPIK3C3ATRCASR
SCHEMBL8544591 0.84 CARM1 (0.39) KDM4EMEN1KMT2A
SCHEMBL8549242 0.84 CARM1 (0.39) KDM4EMEN1KMT2A
SCHEMBL8543293 0.84 CARM1 (0.39) KDM4EMEN1KMT2A
SCHEMBL8544706 0.83 GRIN2B (0.40) LMNACASRALDH1A1KMT2A
SCHEMBL8543127 0.83 LMNA (0.39) LMNAATMPIK3C3ATRPRKDC
SCHEMBL8544376 0.83 MEN1 (0.37) LMNAATMPIK3C3ATRPRKDC
SCHEMBL8544766 0.82 LMNA (0.36) LMNAATMPIK3C3ATRCASR

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