SCHEMBL748523

SCHEMBL748523

CC(C)(C)c1ccc(CN(CCc2cccc(Cl)c2)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 1/20 0.38
LPAR5 Q9H1C0 1/20 0.38
SLC2A1 P11166 1/20 0.36
C5AR1 P21730 1/20 0.36
KMT2A Q03164 1/20 0.35
MBTPS1 Q14703 2/20 0.34
SIGMAR1 Q99720 1/20 0.34
SLC13A5 Q86YT5 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
ACHE P22303 1/20 0.34
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33

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
SCHEMBL748532 0.93 RIPK1 (0.37) SLC2A1ACHEPSEN1PSEN2APH1B
SCHEMBL747114 0.92 C5AR1 (0.41) LPAR1LPAR5C5AR1KMT2AMBTPS1
SCHEMBL745501 0.91 TMEM97 (0.39) C5AR1KMT2ASIGMAR1SLC13A5OPRM1
Hydrochloric Acid SCHEMBL752637 0.91 TMEM97 (0.38) C5AR1KMT2ASIGMAR1SLC13A5OPRM1
SCHEMBL745473 0.90 KMT2A (0.44) LPAR1LPAR5C5AR1KMT2ASIGMAR1
SCHEMBL746695 0.90 LPAR1 (0.36) LPAR1LPAR5SLC2A1C5AR1KMT2A
SCHEMBL748780 0.90 TP53 (0.35) KMT2ASLC13A5CRHBPCRHR2
SCHEMBL749603 0.90 TMEM97 (0.39) C5AR1KMT2ASIGMAR1SLC13A5OPRM1
SCHEMBL748724 0.88 F10 (0.40) KMT2ASIGMAR1SLC13A5
SCHEMBL748563 0.88 MBTPS1 (0.39) LPAR1LPAR5C5AR1KMT2AMBTPS1

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 4 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