SCHEMBL7861177

SCHEMBL7861177

CC(=O)Nc1ccc(COc2ccccc2Oc2ccccc2CCN2C=NCC2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPIA P62937 2/20 0.46
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
KDM4E B2RXH2 2/20 0.41
RAB9A P51151 3/20 0.40
MAPT P10636 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
BRD4 O60885 1/20 0.39
HTR1A P08908 2/20 0.39
DRD2 P14416 2/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 1/20 0.39
NPC1 O15118 2/20 0.38
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38

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
SCHEMBL7859925 0.84 HTR1A (0.46) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL7854338 0.82 HTR1A (0.36) RAB9AMAPTGAAHTR1ADRD2
SCHEMBL7860104 0.82 SMN1; SMN2 (0.41) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL7861286 0.80 MEN1 (0.42) PPIAMEN1KMT2ARAB9AMAPT
SCHEMBL7861096 0.75 KCNH2 (0.46) DRD3
SCHEMBL7854567 0.74 MTNR1A (0.44) RAB9AHTR1ADRD2NPC1
SCHEMBL7859923 0.74 CYP19A1 (0.36) RAB9AMAPTGAAHTR1ADRD2
SCHEMBL7859944 0.73 HTR1A (0.41) MEN1KMT2AKDM4ERAB9AMAPT
SCHEMBL7861121 0.73 HRH3 (0.39) MAPT
Hydrochloric Acid SCHEMBL7860439 0.72 KCNH2 (0.40) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625969-B1 ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS MERRELL PHARMA INC (US) 2001-03-07 EP disclosed
US-5407954-A Serotonin antagonism; treats depression, anxiety, hypertension and migraine headaches MERRELL DOW PHARMACEUTICALS INC. (US) 1995-04-18 US disclosed
EP-0625969-A1 ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS MERRELL PHARMACEUTICALS INC. (US) 1994-11-30 EP disclosed
WO-1993016051-A1 ARYLALKOXYPHENOXY-IMIDAZOLINE COMPOUNDS MERRELL DOW PHARMACEUTICALS INC. (US) 1993-08-19 WO disclosed