SCHEMBL17690256

SCHEMBL17690256

CNCCC(C(=O)O)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.44
HRH1 P35367 4/20 0.44
SLC6A4 P31645 6/20 0.44
SLC6A2 P23975 5/20 0.44
CYP3A4 P08684 4/20 0.43
CYP2D6 P10635 4/20 0.43
CYP1A2 P05177 3/20 0.43
SLC6A3 Q01959 3/20 0.43
KCNH2 Q12809 3/20 0.43
CHRM1 P11229 2/20 0.43
TSHR P16473 2/20 0.43
ADRA2B P18089 2/20 0.43
HTR2C P28335 2/20 0.43
OPRM1 P35372 2/20 0.43
DRD3 P35462 2/20 0.43
OPRK1 P41145 2/20 0.43
HTR2B P41595 2/20 0.43
KLF10 Q13118 2/20 0.43
HRH3 Q9Y5N1 2/20 0.43
LMNA P02545 2/20 0.43

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
SCHEMBL6262528 0.81 ACP3 (0.41) HTR2AHRH1SLC6A4SLC6A2CYP3A4
SCHEMBL7980729 0.80 MMP2 (0.49) CYP3A4CYP2D6CYP1A2TSHRTP53
SCHEMBL5156714 0.80 P2RX7 (0.42) CYP1A2TSHRACP3ALDH1A1CTSA
SCHEMBL4450825 0.80 HTR2A (0.60) HTR2AHRH1SLC6A4SLC6A2CYP3A4
SCHEMBL10976123 0.79 CNR2 (0.42) CYP3A4KMT2AACP3ALDH1A1SMN1; SMN2
SCHEMBL1857873 0.78 ACP3 (0.43) CYP3A4CYP1A2TSHRKMT2AACP3
SCHEMBL1928791 0.78 ACP3 (0.43) CYP3A4CYP1A2TSHRLMNAKMT2A
SCHEMBL20564111 0.77 CYSLTR2 (0.46) CYP2D6CYP1A2SLC6A3TSHRACP3
SCHEMBL11291328 0.76 CYSLTR2 (0.45) ALDH1A1
SCHEMBL20563923 0.76 CYSLTR2 (0.42) CYP2D6CYP1A2SLC6A3TSHRALDH1A1

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
EP-2492262-B1 FUSED HETEROCYCLIC COMPOUND AND THROMBOPOIETIN RECEPTOR ACTIVATOR NISSAN CHEMICAL IND LTD (JP) 2016-04-20 EP disclosed