SCHEMBL5225038

SCHEMBL5225038

O=C(Nc1ccccc1NC(=O)c1cccc(OCc2ccccc2)c1)OC(c1ccncc1)C1CCNCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR132 Q9UNW8 4/20 0.48
NR1H4 Q96RI1 2/20 0.46
TSHR P16473 2/20 0.46
ALDH1A1 P00352 1/20 0.46
GAA P10253 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
SMPD1 P17405 1/20 0.44
LMNA P02545 1/20 0.43
HTT P42858 1/20 0.43
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
ESR2 Q92731 1/20 0.42
TAAR1 Q96RJ0 1/20 0.42
F10 P00742 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42

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 SCHEMBL5227582 0.80 AKT1 (0.46) KMT2AMEN1LMNA
SCHEMBL5225301 0.80 RAB9A (0.54) ALDH1A1GAAKMT2AMEN1HDAC1
Hydrochloric Acid SCHEMBL5228421 0.79 MEN1 (0.45) TSHRALDH1A1KMT2AMEN1HTT
SCHEMBL7244377 0.72 SLC6A4 (0.44) ALDH1A1GAAKMT2AMEN1LMNA
SCHEMBL6358261 0.69 ALDH1A1 (0.66) GPR132NR1H4TSHRALDH1A1GAA
SCHEMBL28058986 0.68 NR1H4 (0.71) GPR132NR1H4TSHRALDH1A1KMT2A
SCHEMBL7713160 0.67 SMPD1 (0.64) GPR132NR1H4TSHRALDH1A1GAA
SCHEMBL7710629 0.67 KDM4E (0.66) NR1H4TSHRALDH1A1GAAKMT2A
SCHEMBL6353185 0.66 AKR1C2 (0.72) GPR132NR1H4TSHRALDH1A1KMT2A
SCHEMBL8792578 0.66 NR4A2 (0.67) GPR132NR1H4ALDH1A1KMT2AMEN1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1014962-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2007-06-27 EP disclosed
EP-1014962-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-07-05 EP disclosed
WO-1999000121-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1999-01-07 WO disclosed