SCHEMBL20877121

SCHEMBL20877121

CC(O)C(Oc1ccc(F)c(F)c1)N(C[C@H](O)COc1ccc(F)c(F)c1)C1CCNCC1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.38
SLC6A2 P23975 10/20 0.37
SLC6A4 P31645 8/20 0.37
SLC6A3 Q01959 6/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
ABCB1 P08183 1/20 0.34
MBTPS1 Q14703 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
SCHEMBL20877037 1.00 HTR2A (0.38) HTR2ASLC6A2SLC6A4SLC6A3MEN1
SCHEMBL20877598 0.86 SLC6A4 (0.41) SLC6A2SLC6A4SLC6A3
SCHEMBL20877111 0.85 ALDH1A1 (0.42) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL20877016 0.82 POLB (0.40) SLC6A2SLC6A4MEN1KMT2AABCB1
SCHEMBL20877035 0.82 SLC6A2 (0.43) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL20877542 0.71 SLC6A2 (0.42) SLC6A2SLC6A4SLC6A3
SCHEMBL20877110 0.67 ALDH1A1 (0.47) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL7823918 0.66 LSS (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL6667990 0.65 ADRB3 (0.50)
SCHEMBL28001069 0.65 LMNA (0.53) KMT2A

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-3692018-A1 MODULATORS OF CELL ADHESION, METHODS AND COMPOSITIONS THEREFOR Blaschuk, Orest (US) 2020-08-12 EP claimed
WO-2019070816-A1 MODULATORS OF CELL ADHESION, METHODS AND COMPOSITIONS THEREFOR Zonula Incorporated (CA) 2019-04-11 WO claimed