SCHEMBL4081027

SCHEMBL4081027

O=C(c1ccc(Cl)cc1Cl)N(CCCc1ccccc1)Cc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 8/20 0.53
C5AR1 P21730 1/20 0.53
TMEM97 Q5BJF2 2/20 0.52
SIGMAR1 Q99720 2/20 0.52
LPAR2 Q9HBW0 1/20 0.51
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.50
MGLL Q99685 1/20 0.48
CYP3A4 P08684 2/20 0.48
LPAR5 Q9H1C0 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46

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
SCHEMBL1169293 0.83 TMEM97 (0.51) LPAR1C5AR1TMEM97SIGMAR1TP53
SCHEMBL709398 0.81 LPAR1 (0.72) LPAR1LPAR2
SCHEMBL706501 0.80 LPAR1 (0.72) LPAR1LPAR2LPAR5
SCHEMBL8337381 0.78 CYP3A4 (0.48) LPAR1TMEM97SIGMAR1LPAR2MGLL
SCHEMBL708961 0.78 LPAR1 (0.64) LPAR1C5AR1LPAR2
SCHEMBL714547 0.78 LPAR1 (0.69) LPAR1LPAR2
SCHEMBL708439 0.78 LPAR1 (0.67) LPAR1LPAR2LPAR5
SCHEMBL709233 0.78 LPAR1 (0.64) LPAR1C5AR1LPAR2
SCHEMBL3455287 0.77 HSP90AA1 (0.66) TMEM97SIGMAR1TP53MAPTCYP3A4
SCHEMBL709148 0.77 LPAR1 (0.78) LPAR1LPAR2LPAR5

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 6 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
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