SCHEMBL4583944

SCHEMBL4583944

Oc1ccc(-c2ccc(O)cc2)cc1.c1ccc2c(c1)CCNO2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP3 P08254 1/20 0.41
BCL2L1 Q07817 1/20 0.41
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
ESR1 P03372 5/20 0.37
ESR2 Q92731 4/20 0.37
OPRD1 P41143 1/20 0.37
KCNH2 Q12809 1/20 0.37
HSD17B1 P14061 2/20 0.36
CHEK1 O14757 1/20 0.35
HTR2C P28335 1/20 0.35
QDPR P09417 1/20 0.35
DRD4 P21917 1/20 0.35
DRD5 P21918 1/20 0.35
DRD3 P35462 1/20 0.35
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL187618 0.86 HTR2C (0.46) HTR2C
SCHEMBL29687441 0.86 HTR2C (0.46) HTR2C
SCHEMBL7034209 0.86 HTR2C (0.46) HTR2C
Methylamine SCHEMBL2638183 0.80 HTR2C (0.41) HTR2CLMNA
Piperidine SCHEMBL5729886 0.77 HTR2C (0.48) DRD2DRD1HTR2CDRD4DRD5
SCHEMBL2379149 0.76 HTR2C (0.38) HTR2C
SCHEMBL461795 0.75 DRD2 (0.48) DRD2DRD1ESR1ESR2DRD4
SCHEMBL451710 0.74 TSHR (0.42) DRD2DRD1HTR2CDRD4DRD5
Cyclopropane SCHEMBL29171080 0.74 TSHR (0.42) DRD2DRD1HTR2CDRD4DRD5
SCHEMBL30601152 0.74 TSHR (0.42) DRD2DRD1HTR2CDRD4DRD5

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
US-7446160-B2 Phosphorus-containing cured benzoxazine resins and preparation thereof NATIONAL CHENG KUNG UNIVERSITY (TW) 2008-11-04 US disclosed
US-20060149023-A1 Phosphorus-containing cured benzoxazine resins and preparation thereof NATIONAL CHENG KUNG UNIVERSITY (TW) 2006-07-06 US disclosed