SCHEMBL1169293

SCHEMBL1169293

CC(C)CCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TMEM97 Q5BJF2 2/20 0.51
SIGMAR1 Q99720 2/20 0.51
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
CYP3A4 P08684 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
C5AR1 P21730 1/20 0.45
LPAR1 Q92633 2/20 0.44
LPAR5 Q9H1C0 2/20 0.44
POLB P06746 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
F2 P00734 1/20 0.44
F10 P00742 1/20 0.44
F7 P08709 1/20 0.44
TSHR P16473 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PSMB5 P28074 1/20 0.43

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
SCHEMBL22591141 0.84 LPAR1 (0.56) TMEM97SIGMAR1LPAR1LPAR5F2
SCHEMBL4081027 0.83 LPAR1 (0.53) TMEM97SIGMAR1TP53MAPTCYP3A4
SCHEMBL3455287 0.77 HSP90AA1 (0.66) TMEM97SIGMAR1TP53MAPTCYP3A4
SCHEMBL1169177 0.74 MEN1 (0.50) TMEM97SIGMAR1C5AR1LPAR1LPAR5
SCHEMBL4072443 0.74 TMEM97 (0.50) TMEM97SIGMAR1TP53MAPTCYP3A4
SCHEMBL1169641 0.74 SMN1; SMN2 (0.55) TP53MAPTCYP3A4LPAR1LPAR5
SCHEMBL5365302 0.73 TSHR (0.52) TMEM97SIGMAR1TP53MAPTPOLB
SCHEMBL3455752 0.72 LPAR1 (0.57) LPAR1LPAR5F2F10F7
SCHEMBL6317869 0.71 PPARA (0.48) TMEM97SIGMAR1CYP3A4NPC1RAB9A
SCHEMBL6325127 0.71 TMEM97 (0.49) TMEM97SIGMAR1CYP3A4NPC1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778985-B2 Inhibiting amyloid-beta peptide/rage interaction at the blood-brain barrier THE UNIVERSITY OF ROCHESTER (US) 2014-07-15 US claimed
EP-3307781-B1 ANTIBODIES, COMPOUNDS AND SCREENS FOR IDENTIFYING AND TREATING CACHEXIA OR PRE-CACHEXIA BROAD INST INC (US) 2020-10-28 EP disclosed
US-8778985-B2 Inhibiting amyloid-beta peptide/rage interaction at the blood-brain barrier THE UNIVERSITY OF ROCHESTER (US) 2014-07-15 US disclosed
US-20110039908-A1 Inhibiting Amyloid-Beta Peptide/Rage Interaction At The Blood-Brain Barrier NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2011-02-17 US disclosed
EP-1993527-A4 INHIBITING AMYLOID-BETA PEPTIDE/RAGE INTERACTION AT THE BLOOD-BRAIN BARRIER UNIV ROCHESTER (US) 2009-08-05 EP disclosed
EP-1993527-A2 INHIBITING AMYLOID-BETA PEPTIDE/RAGE INTERACTION AT THE BLOOD-BRAIN BARRIER THE UNIVERSITY OF ROCHESTER (US) 2008-11-26 EP disclosed
WO-2007089616-A2 INHIBITING AMYLOID-BETA PEPTIDE/RAGE INTERACTION AT THE BLOOD-BRAIN BARRIER THE UNIVERSITY OF ROCHESTER (US) 2007-08-09 WO disclosed