SCHEMBL748554

SCHEMBL748554

CC(C)(C)c1ccc(CN(CCc2ccccc2F)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 7/20 0.36
LPAR5 Q9H1C0 6/20 0.36
TP53 P04637 2/20 0.35
MAPT P10636 2/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
SLC13A5 Q86YT5 1/20 0.34
KMT2A Q03164 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
ACHE P22303 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
SLC6A4 P31645 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 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
SCHEMBL749530 0.89 NR1I2 (0.45) SLC13A5KMT2ANR1I2LMNAADRA2A
SCHEMBL746610 0.89 TP53 (0.42) LPAR1LPAR5TP53MAPTSLC13A5
SCHEMBL745473 0.88 KMT2A (0.44) LPAR1LPAR5MAPTSLC13A5KMT2A
SCHEMBL748780 0.88 TP53 (0.35) TP53MAPTSLC13A5KMT2AKDM4E
SCHEMBL747640 0.86 TP53 (0.41) LPAR1LPAR5TP53MAPTSLC13A5
SCHEMBL748461 0.86 ESRRG (0.46) TP53MAPTSLC13A5KMT2ALMNA
SCHEMBL748241 0.86 LPAR1 (0.36) LPAR1LPAR5TP53MAPTADORA2A
SCHEMBL749589 0.85 MAPT (0.48) TP53MAPTSLC13A5KMT2AALDH1A1
SCHEMBL748509 0.85 LPAR1 (0.43) LPAR1LPAR5TP53MAPTSLC13A5
SCHEMBL747130 0.85 SLC13A5 (0.37) LPAR1LPAR5TP53MAPTSLC13A5

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