SCHEMBL38352

SCHEMBL38352

O=CCC1(c2ccccc2)CCN(C(=O)c2ccc(-c3cccs3)nc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 9/20 0.59
HTR1A P08908 2/20 0.40
ABL1 P00519 1/20 0.38
BCR P11274 1/20 0.38
GBA1 P04062 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
GRM5 P41594 1/20 0.37
PKLR P30613 1/20 0.37
CCR5 P51681 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PRKAB2 O43741 1/20 0.36
PRKAG1 P54619 1/20 0.36
PRKAA2 P54646 1/20 0.36
PRKAA1 Q13131 1/20 0.36
PRKAG3 Q9UGI9 1/20 0.36

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
SCHEMBL14974541 0.81 HPGDS (0.62) HPGDSABL1BCRGBA1ALDH1A1
SCHEMBL3523461 0.77 CCR5 (0.51) ALDH1A1LMNACCR5OPRD1OPRK1
SCHEMBL14837517 0.74 HPGDS (1.00) HPGDSHTR1AABL1BCRGBA1
SCHEMBL3527130 0.71 HSD11B1 (0.42) LMNACCR5KMT2AL3MBTL1
SCHEMBL18044163 0.71 HPGDS (0.65) HPGDSALDH1A1LMNAKMT2A
SCHEMBL14973649 0.70 HPGDS (1.00) HPGDS
SCHEMBL3200853 0.68 HPGDS (0.67) HPGDSKMT2ATDP1L3MBTL1
SCHEMBL14973905 0.65 HPGDS (1.00) HPGDS
SCHEMBL8129263 0.65 CHRM2 (0.48) ALDH1A1LMNAKMT2A
SCHEMBL5909068 0.65 HPGD (0.51) HPGDSALDH1A1GRM5

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-2576536-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS The University of Queensland (AU) 2013-04-10 EP disclosed
WO-2011150457-A2 HAEMATOPOIETIC-PROSTAGLANDIN D2 SYNTHASE INHIBITORS THE UNIVERSITY OF QUEENSLAND (AU) 2011-12-08 WO disclosed