SCHEMBL747122

SCHEMBL747122

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(F)c2)C(=O)c2cc(Cl)cc3c2NCCC3)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.33
MAPT P10636 1/20 0.33
ESRRG P62508 3/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
BCL2 P10415 1/20 0.33
ESRRB O95718 1/20 0.33
PARP1 P09874 6/20 0.33
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
C5AR1 P21730 1/20 0.31
MAPK14 Q16539 1/20 0.31
CRHBP P24387 1/20 0.31
CRHR2 Q13324 1/20 0.31
EPHX2 P34913 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
Hydrochloric Acid SCHEMBL748492 0.99 TP53 (0.33) TP53MAPTESRRGOPRM1OPRD1
SCHEMBL746591 0.95 PARP1 (0.33) TP53MAPTESRRGPARP1PSEN1
SCHEMBL751012 0.94 PARP1 (0.36) TP53MAPTESRRGOPRM1OPRD1
Hydrochloric Acid SCHEMBL747648 0.93 PARP1 (0.36) TP53MAPTESRRGOPRM1OPRD1
SCHEMBL745512 0.93 OPRM1 (0.34) TP53MAPTESRRGOPRM1OPRD1
Hydrochloric Acid SCHEMBL747110 0.92 OPRM1 (0.34) TP53MAPTESRRGOPRM1OPRD1
SCHEMBL747155 0.91 TP53 (0.38) TP53MAPTESRRGOPRM1OPRD1
Hydrochloric Acid SCHEMBL748268 0.90 TP53 (0.38) TP53MAPTESRRGOPRM1OPRD1
SCHEMBL745516 0.88 PARP1 (0.35) TP53MAPTESRRGOPRM1OPRD1
Hydrochloric Acid SCHEMBL746670 0.88 PARP1 (0.35) TP53MAPTESRRGOPRM1OPRD1

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