SCHEMBL746695

SCHEMBL746695

CC(C)(C)c1ccc(CN(CCc2cccc(Cl)c2)C(=O)c2cc(Br)cc3c2NCCC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.36
LPAR5 Q9H1C0 1/20 0.36
SLC2A1 P11166 1/20 0.35
C5AR1 P21730 1/20 0.34
MBTPS1 Q14703 2/20 0.33
PTGER2 P43116 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
SIGMAR1 Q99720 1/20 0.32
ACHE P22303 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
KMT2A Q03164 1/20 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
SCHEMBL748523 0.90 LPAR1 (0.38) LPAR1LPAR5SLC2A1C5AR1MBTPS1
SCHEMBL749660 0.87 SLC2A1 (0.35) LPAR1LPAR5SLC2A1MBTPS1PTGER2
SCHEMBL745512 0.83 OPRM1 (0.34) C5AR1OPRM1OPRD1SIGMAR1PSEN1
SCHEMBL748532 0.83 RIPK1 (0.37) SLC2A1PTGER2ACHEPSEN1PSEN2
SCHEMBL746591 0.83 PARP1 (0.33) C5AR1PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL747110 0.83 OPRM1 (0.34) C5AR1OPRM1OPRD1SIGMAR1PSEN1
SCHEMBL747114 0.82 C5AR1 (0.41) LPAR1LPAR5C5AR1MBTPS1PTGER2
SCHEMBL747130 0.82 SLC13A5 (0.37) LPAR1LPAR5SLC2A1C5AR1CRHBP
SCHEMBL751012 0.82 PARP1 (0.36) C5AR1OPRM1OPRD1PSEN1PSEN2
SCHEMBL747155 0.82 TP53 (0.38) SLC2A1C5AR1OPRM1OPRD1PSEN1

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
EP-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP claimed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US claimed
EP-2049493-B1 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LTD (IN) 2012-03-21 EP disclosed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US disclosed
EP-2049493-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL Cadila Healthcare Limited (IN) 2009-04-22 EP disclosed
WO-2008059513-A2 COMPOUNDS SUITABLE AS MODULATORS OF HDL CADILA HEALTHCARE LIMITED (IN) 2008-05-22 WO disclosed