SCHEMBL8055366

SCHEMBL8055366

Cc1ccccc1OCC(O)CNCCCOc1ccccc1

nearest known ligand 0.67

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.67
DRD4 P21917 2/20 0.67
ATM Q13315 1/20 0.61
KDM4E B2RXH2 3/20 0.59
ALDH1A1 P00352 2/20 0.59
KMT2A Q03164 2/20 0.59
ADRB2 P07550 2/20 0.58
ADRB1 P08588 2/20 0.58
ADRB3 P13945 2/20 0.58
CYP1A2 P05177 2/20 0.57
DRD3 P35462 1/20 0.56
MEN1 O00255 1/20 0.54

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
SCHEMBL11360462 0.91 DRD2 (0.56) DRD2DRD4ATMKDM4EALDH1A1
SCHEMBL11355780 0.88 ATM (0.59) DRD2DRD4ATMKDM4EALDH1A1
SCHEMBL11357355 0.88 ATM (0.59) DRD2DRD4ATMKDM4EALDH1A1
SCHEMBL8054995 0.85 ADRB2 (0.58) KDM4EALDH1A1KMT2AADRB2ADRB1
SCHEMBL9808650 0.84 ADRB2 (0.63) KDM4EALDH1A1KMT2AADRB2ADRB1
Tolamolol SCHEMBL611643 0.83 ATM (0.59) ATMKDM4EALDH1A1KMT2AADRB2
Tolamolol SCHEMBL613511 0.83 ATM (0.59) ATMKDM4EALDH1A1KMT2AADRB2
SCHEMBL10740739 0.82 ADRB2 (0.65) KDM4EALDH1A1KMT2AADRB2ADRB1
SCHEMBL11360960 0.82 KDM4E (0.58) KDM4EALDH1A1KMT2AADRB2ADRB1
SCHEMBL11364907 0.82 ADRB2 (0.66) DRD2DRD4KDM4EKMT2AADRB2

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
US-6051605-A TREATING PSYCHOSIS AND SCHIZOPHRENIA USING A COMPOUND THAT IS AN ANTAGONIST OF DOPAMINE D4 RECEPTORS WARNER-LAMBERT COMPANY (US) 2000-04-18 US disclosed