SCHEMBL7997808

SCHEMBL7997808

COc1ccc2c(CC(C)O)c[nH]c2c1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.62
HTR2B P41595 2/20 0.62
HTR1A P08908 1/20 0.62
HTR2C P28335 1/20 0.62
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HTR6 P50406 1/20 0.58
ADRB3 P13945 1/20 0.56
MTNR1A P48039 1/20 0.55
MTNR1B P49286 1/20 0.55
GPR84 Q9NQS5 2/20 0.51
MAPT P10636 3/20 0.51
CYP2D6 P10635 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL25769074 0.88 HTR2A (0.65) HTR2AHTR2BHTR1AHTR2CMEN1
SCHEMBL19209536 0.87 HTR2A (0.81) HTR2AHTR2BHTR1AHTR2CMEN1
SCHEMBL24328915 0.83 SMN1; SMN2 (0.60) HTR2AHTR2BHTR1AHTR2CMEN1
SCHEMBL28413745 0.83 SMN1; SMN2 (0.60) HTR2AHTR2BHTR1AHTR2CMEN1
SCHEMBL27911671 0.81 GPR84 (0.75) HTR2AHTR2BHTR1AHTR2CMEN1
SCHEMBL24328257 0.81 MEN1 (0.58) HTR2AHTR2BHTR1AHTR2CMEN1
SCHEMBL6206125 0.80 MEN1 (0.57) MEN1KMT2AMAPTKDM4EALDH1A1
SCHEMBL24814482 0.80 MTNR1A (0.60) HTR2AHTR2BHTR1AHTR2CMEN1
SCHEMBL10956670 0.80 SCN9A (0.65) HTR2AHTR2BHTR1AHTR2CMEN1
SCHEMBL1460679 0.80 KMT2A (0.61) HTR2AHTR2BHTR1AHTR2CMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2001040183-A1 1-AMINOALKYL-1H-INDOLES FOR TREATING GLAUCOMA ALCON UNIVERSAL LTD. (CH) 2001-06-07 WO disclosed