SCHEMBL9152005

SCHEMBL9152005

CCNCCc1ccc(OP(=O)(O)O)c(O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 2/20 0.43
S1PR1 P21453 2/20 0.43
S1PR3 Q99500 2/20 0.43
LPAR2 Q9HBW0 1/20 0.43
CYP1A2 P05177 2/20 0.40
TSHR P16473 2/20 0.40
NFKB1 P19838 2/20 0.40
CYP3A4 P08684 1/20 0.40
ADRB2 P07550 2/20 0.40
DRD2 P14416 2/20 0.40
DRD1 P21728 2/20 0.40
DRD4 P21917 2/20 0.40
DRD3 P35462 2/20 0.40
MAPT P10636 3/20 0.40
HIF1A Q16665 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40
THPO P40225 1/20 0.40

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
Hydrochloric Acid SCHEMBL9154882 0.99 S1PR2 (0.42) S1PR2S1PR1S1PR3LPAR2CYP1A2
Fosopamine SCHEMBL30567798 0.86 MAPT (0.57) S1PR2S1PR1S1PR3LPAR2CYP1A2
Fosopamine SCHEMBL828844 0.86 MAPT (0.57) S1PR2S1PR1S1PR3LPAR2CYP1A2
Fosopamine SCHEMBL9152610 0.84 MAPT (0.58) S1PR2S1PR1S1PR3LPAR2CYP1A2
SCHEMBL10600940 0.78 ADRB2 (0.66) CYP1A2TSHRNFKB1CYP3A4ADRB2
SCHEMBL9156756 0.78 TSHR (0.61) CYP1A2TSHRNFKB1CYP3A4ADRB2
SCHEMBL9159350 0.77 CA1 (0.49) CYP1A2TSHRNFKB1CYP3A4MAPT
SCHEMBL9157336 0.77 DRD2 (0.60) TSHRNFKB1CYP3A4DRD2DRD1
Hydrochloric Acid SCHEMBL9152256 0.77 LMNA (0.62) CYP1A2TSHRNFKB1CYP3A4ADRB2
Hydrochloric Acid SCHEMBL9715565 0.76 DRD2 (0.58) TSHRNFKB1CYP3A4DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0430336-B1 Process for the preparation of 4-O-phosphates of dopamine and dopamine derivatives ZAMBON SPA (IT) 1995-02-15 EP disclosed
US-5138084-A PROCESS FOR THE PREPARATION OF 4-O-PHOSPHATES OF DOPAMINE AND DOPAMINE DERIVATIVES SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1992-08-11 US disclosed
EP-0430336-A2 Process for the preparation of 4-O-phosphates of dopamine and dopamine derivatives ZAMBON GROUP S.p.A. (IT) 1991-06-05 EP disclosed