SCHEMBL3266283

SCHEMBL3266283

C=CCCCC.C=CCCCC.C=CCCCC.C=CCCCC.CCCCC=CC(Cl)Cl

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.58
ALDH1A1 P00352 2/20 0.58
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
CYP3A4 P08684 2/20 0.39
PTGS1 P23219 1/20 0.38
PPARG P37231 1/20 0.38
OPRK1 P41145 1/20 0.38
ABCG2 Q9UNQ0 1/20 0.38
MAPT P10636 4/20 0.37
LMNA P02545 3/20 0.37
USP2 O75604 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SPHK2 Q9NRA0 4/20 0.33
SPHK1 Q9NYA1 4/20 0.33
CETP P11597 3/20 0.33
GMNN O75496 2/20 0.33
GLA P06280 2/20 0.33
POLB P06746 2/20 0.33

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
SCHEMBL2835408 0.89
SCHEMBL6432081 0.79 TSHR (0.82) TSHRALDH1A1MAPTLMNAUSP2
SCHEMBL28897337 0.77 TSHR (0.78) TSHRALDH1A1MAPTLMNAUSP2
SCHEMBL9187603 0.77 TSHR (0.78) TSHRALDH1A1MAPTLMNAUSP2
SCHEMBL22323638 0.77 TSHR (0.78) TSHRALDH1A1MAPTLMNAUSP2
SCHEMBL25178050 0.77 TSHR (0.78) TSHRALDH1A1MAPTLMNAUSP2
SCHEMBL630278 0.77 TSHR (0.78) TSHRALDH1A1MAPTLMNAUSP2
SCHEMBL7856670 0.77 TSHR (0.78) TSHRALDH1A1MAPTLMNAUSP2
SCHEMBL2405672 0.76 TSHR (1.00) TSHRALDH1A1MAPTLMNATHRB
SCHEMBL9420916 0.76 TSHR (1.00) TSHRALDH1A1MAPTLMNATHRB

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-2168952-B1 MORPHOLINE DERIVATIVES AS RENIN INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2017-02-15 EP disclosed
EP-2168952-A1 MORPHOLINE DERIVATIVE Mitsubishi Tanabe Pharma Corporation (JP) 2010-03-31 EP disclosed