SCHEMBL8544766

SCHEMBL8544766

CC1(C)CC(=O)Nc2c1ccc(Cl)c2C(O)CN1CCCCC1Cc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
OPRD1 P41143 1/20 0.33
CASR P41180 1/20 0.33
ATM Q13315 3/20 0.33
PIK3C3 Q8NEB9 3/20 0.33
ATR Q13535 1/20 0.33
PRKDC P78527 1/20 0.32
ABHD6 Q9BV23 3/20 0.32
DAGLA Q9Y4D2 3/20 0.32

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
SCHEMBL8543127 0.85 LMNA (0.39) LMNAATMPIK3C3ATRPRKDC
SCHEMBL8543294 0.84 CARM1 (0.40)
SCHEMBL8547535 0.82 LMNA (0.35) LMNAOPRD1CASRATMPIK3C3
SCHEMBL8546372 0.82 LMNA (0.35) LMNAOPRD1CASRATMPIK3C3
SCHEMBL8544587 0.82 LMNA (0.35) LMNAOPRD1CASRATMPIK3C3
SCHEMBL8544380 0.82 KMT2A (0.40) LMNAOPRD1ABHD6DAGLA
SCHEMBL8543536 0.78 LMNA (0.36) LMNAOPRD1CASRATMPIK3C3
SCHEMBL8544376 0.73 MEN1 (0.37) LMNAOPRD1ATMPIK3C3ATR
SCHEMBL8543860 0.71 LMNA (0.37) LMNACASR
SCHEMBL8544706 0.70 GRIN2B (0.40) LMNACASR

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