SCHEMBL8544376

SCHEMBL8544376

CC1(C)CC(=O)Nc2cc(Cl)c(C(=O)CN3CCCCC3Cc3ccccc3)cc21

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 2/20 0.36
ALOX15 P16050 2/20 0.36
CRHBP P24387 1/20 0.36
CRHR2 Q13324 1/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
OPRD1 P41143 1/20 0.35
ATM Q13315 4/20 0.35
PIK3C3 Q8NEB9 4/20 0.35
MCHR1 Q99705 2/20 0.35
ATR Q13535 1/20 0.35
SMYD3 Q9H7B4 1/20 0.34
PRKDC P78527 1/20 0.34
ABHD6 Q9BV23 3/20 0.34
DAGLA Q9Y4D2 3/20 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
SCHEMBL8544963 0.83 CARM1 (0.40) LMNAALDH1A1
SCHEMBL8544587 0.83 LMNA (0.35) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL8546372 0.83 LMNA (0.35) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL8547535 0.83 LMNA (0.35) MEN1KMT2ALMNAALDH1A1NPSR1
SCHEMBL8544380 0.82 KMT2A (0.40) MEN1KMT2ALMNAALOX15CRHBP
SCHEMBL8543127 0.74 LMNA (0.39) MEN1KMT2ALMNAATMPIK3C3
SCHEMBL8544766 0.73 LMNA (0.36) LMNAOPRD1ATMPIK3C3ATR
SCHEMBL6219487 0.72 HDAC3 (0.41) SMYD3
SCHEMBL8543536 0.72 LMNA (0.36) KMT2ALMNAALDH1A1OPRD1ATM
SCHEMBL5766655 0.72 RARB (0.41) ALDH1A1MAPTSMYD3

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