SCHEMBL747114

SCHEMBL747114

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)cc2)C(=O)c2cccc3c2NCCC3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
C5AR1 P21730 2/20 0.41
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
SLC13A5 Q86YT5 1/20 0.37
KMT2A Q03164 3/20 0.37
ESRRG P62508 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36
CNR1 P21554 1/20 0.35
MBTPS1 Q14703 1/20 0.35
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
MEN1 O00255 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 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
SCHEMBL745473 0.93 KMT2A (0.44) C5AR1SLC13A5KMT2AESRRGTMEM97
SCHEMBL748523 0.92 LPAR1 (0.38) C5AR1PSEN1PSEN2APH1BNCSTN
SCHEMBL748461 0.92 ESRRG (0.46) C5AR1SLC13A5KMT2AESRRGMEN1
SCHEMBL747130 0.91 SLC13A5 (0.37) C5AR1SLC13A5KMT2AESRRGLPAR1
SCHEMBL746610 0.91 TP53 (0.42) SLC13A5KMT2AESRRGLPAR1LPAR5
SCHEMBL745501 0.90 TMEM97 (0.39) C5AR1SLC13A5KMT2AESRRGTMEM97
SCHEMBL748563 0.90 MBTPS1 (0.39) C5AR1PSEN1PSEN2APH1BNCSTN
Hydrochloric Acid SCHEMBL752637 0.90 TMEM97 (0.38) C5AR1SLC13A5KMT2AESRRGTMEM97
SCHEMBL748509 0.89 LPAR1 (0.43) SLC13A5KMT2AESRRGTMEM97LPAR1
SCHEMBL748533 0.89 ESRRG (0.37) SLC13A5KMT2AESRRGLMNA

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 2 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 disclosed
US-8022217-B2 Compounds suitable as modulators of HDL CADILA HEALTHCARE LIMITED (IN) 2011-09-20 US disclosed