SCHEMBL10875906

SCHEMBL10875906

OC(CNCCCc1ccc(Cl)cc1Cl)c1ccc(Cl)cc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.45
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
ADRA2C P18825 1/20 0.42
CNR1 P21554 1/20 0.40
ACLY P53396 4/20 0.39
ADRB1 P08588 2/20 0.39
MITF O75030 1/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 1/20 0.39
XBP1 P17861 1/20 0.39
MAPK1 P28482 1/20 0.39
NTSR1 P30989 1/20 0.39
HTT P42858 1/20 0.39
PAX8 Q06710 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL5631220 0.76 MEN1 (0.52) OPRK1KMT2AMEN1CNR1ADRB1
SCHEMBL6767270 0.75 KMT2A (0.59) OPRK1KMT2AMEN1ADRB1MITF
SCHEMBL5099392 0.74 SIGMAR1 (0.47) KMT2AMEN1CNR1MAPK1HTT
Hydrochloric Acid SCHEMBL11751277 0.72 ESR1 (0.45) OPRK1ADRA2CADRB1ADRB2
SCHEMBL5099387 0.71 CNR1 (0.48) KMT2AMEN1CNR1ACLYTAAR1
SCHEMBL6337215 0.71 GPR84 (0.48) KMT2AMEN1CNR1MAPK1HTT
SCHEMBL28650574 0.69 TAAR1 (0.55) KMT2AMEN1CNR1MAPK1HTT
SCHEMBL6212874 0.68 ADRA2C (0.51) ADRA2CLMNAMAPK1HTTNPSR1
SCHEMBL585759 0.68 IDO1 (0.52) CNR1ACLYMAPK1HTT
SCHEMBL7460986 0.68 ADRA2C (0.51) ADRA2CLMNAMAPK1HTTNPSR1

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-0104888-B1 PROCESS FOR PREPARING 2-HYDROXY-2-PHENYLETHYLAMINES ELI LILLY AND COMPANY (US) 1986-10-15 EP disclosed
EP-0104888-A1 Process for preparing 2-hydroxy-2-phenylethylamines ELI LILLY AND COMPANY (US) 1984-04-04 EP disclosed