SCHEMBL748532

SCHEMBL748532

CC(C)(C)c1ccc(CN(Cc2cccc(Cl)c2)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.37
GHSR Q92847 3/20 0.36
PIN1 Q13526 1/20 0.36
WDR5 P61964 1/20 0.35
ACHE P22303 1/20 0.35
PARP1 P09874 1/20 0.35
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CTSL P07711 1/20 0.35
TP53 P04637 2/20 0.35
SLC2A1 P11166 1/20 0.35
MAPT P10636 1/20 0.35
PTGER2 P43116 1/20 0.35
NR1H4 Q96RI1 1/20 0.34
PTGES O14684 1/20 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
SCHEMBL748523 0.93 LPAR1 (0.38) GHSRACHEPSEN1PSEN2APH1B
SCHEMBL749589 0.87 MAPT (0.48) PARP1TP53SLC2A1MAPTPTGER2
SCHEMBL747114 0.86 C5AR1 (0.41) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL746651 0.85 NR1H4 (0.39) PIN1PARP1PSEN1PSEN2APH1B
SCHEMBL748289 0.85 SRC (0.39) RIPK1GHSRWDR5ACHESLC2A1
SCHEMBL745473 0.84 KMT2A (0.44) PIN1MAPTNR1H4PTGES
SCHEMBL745501 0.84 TMEM97 (0.39) TP53NR1H4
SCHEMBL748563 0.84 MBTPS1 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
Hydrochloric Acid SCHEMBL752637 0.83 TMEM97 (0.38) TP53NR1H4
SCHEMBL746695 0.83 LPAR1 (0.36) GHSRACHEPSEN1PSEN2APH1B

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