SCHEMBL16488395

SCHEMBL16488395

C=C(CC)[C@H](N)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.45
ADRA2A P08913 1/20 0.43
ADRA2C P18825 1/20 0.43
HIF1A Q16665 1/20 0.43
KDM4E B2RXH2 1/20 0.43
DPP4 P27487 2/20 0.42
F2 P00734 1/20 0.42
ALDH1A1 P00352 1/20 0.42
TAAR1 Q96RJ0 3/20 0.40
HTR2A P28223 1/20 0.39

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
SCHEMBL855605 0.83 NPSR1 (0.42) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL9500857 0.81 ASAH1 (0.43) LMNAALDH1A1HTR2A
SCHEMBL10618424 0.78 HPGD (0.52) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL27575979 0.78 LMNA (0.45) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL5975716 0.77 ADRA2A (0.46) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL16838683 0.77 ADRA2A (0.46) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL8201163 0.77 ADRA2A (0.46) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL1950755 0.77 LMNA (0.43) LMNAALDH1A1TAAR1HTR2A
SCHEMBL8353716 0.77 ALDH1A1 (0.49) LMNAADRA2AADRA2CHIF1AKDM4E
SCHEMBL10140605 0.77 ALDH1A1 (0.49) LMNAADRA2AADRA2CHIF1AKDM4E

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
EP-2837630-B1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE ASYMCHEM LAB TIANJIN CO LTD (CN) 2016-11-23 EP disclosed
EP-2837630-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE Asymchem Laboratories (Tianjin) Co., Ltd (CN) 2015-02-18 EP disclosed