SCHEMBL4968765

SCHEMBL4968765

CCC[C@](OCCO[Si](C)(C)C(C)(C)C)(c1cccc(Cl)c1)[C@@H]1CCCN(C(C)(C)C)C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
REN P00797 4/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SLC22A1 O15245 1/20 0.31
MLNR O43193 1/20 0.31
NR1I2 O75469 1/20 0.31
TP53 P04637 1/20 0.31
ADRB2 P07550 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
ADRB1 P08588 1/20 0.31
CYP3A4 P08684 1/20 0.31
HTR1A P08908 1/20 0.31
CHRM5 P08912 1/20 0.31
ADRA2A P08913 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
CYP2C9 P11712 1/20 0.31
DRD2 P14416 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL4970829 0.86 REN (0.36) RENMEN1KMT2ASLC22A1MLNR
SCHEMBL3609024 0.84 FNTA (0.39) RENTP53
SCHEMBL3609025 0.84 FNTA (0.39) RENTP53
SCHEMBL4972346 0.80 REN (0.47) REN
SCHEMBL5007525 0.73 DRD2 (0.32) MEN1KMT2ADRD2SLC6A2HTR2C
SCHEMBL4971136 0.73 REN (0.38) RENSCN5A
SCHEMBL4971318 0.73 REN (0.39) RENMEN1KMT2ACYP3A4HRH3
SCHEMBL4970848 0.71 HRH3 (0.35) RENMEN1KMT2ASLC22A1MLNR
SCHEMBL4971351 0.71 MEN1 (0.37) RENMEN1KMT2ASLC22A1MLNR
SCHEMBL8236287 0.71 REN (0.35) RENMEN1KMT2ASLC6A2SLC6A4

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-1966139-A1 ASPARTIC PROTEASE INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2008-09-10 EP disclosed
WO-2007070201-A1 ASPARTIC PROTEASE INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2007-06-21 WO disclosed