SCHEMBL9702604

SCHEMBL9702604

COc1ccc(Cl)cc1OCC1CCNCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 2/20 0.53
FGFR1 P11362 2/20 0.53
FLT1 P17948 2/20 0.53
FLT4 P35916 2/20 0.53
KDR P35968 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
SLC6A4 P31645 4/20 0.52
HTR6 P50406 1/20 0.52
HTR3A P46098 2/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
DRD4 P21917 2/20 0.46
DRD2 P14416 1/20 0.46
HTR2C P28335 2/20 0.45
HTR2A P28223 1/20 0.45
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 2/20 0.44
CYP2D6 P10635 1/20 0.44

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 SCHEMBL9556037 0.99 TDP1 (0.55) EGFRFGFR1FLT1FLT4KDR
SCHEMBL4500135 0.84 SLC6A4 (0.52) EGFRFGFR1FLT1FLT4KDR
Hydrochloric Acid SCHEMBL19834085 0.82 SLC6A4 (0.51) EGFRFGFR1FLT1FLT4KDR
SCHEMBL22463006 0.81 EGFR (0.51) EGFRFGFR1FLT1FLT4KDR
SCHEMBL30272614 0.81 EGFR (0.51) EGFRFGFR1FLT1FLT4KDR
SCHEMBL13034357 0.81 RBP4 (0.58) EGFRFGFR1FLT1FLT4KDR
SCHEMBL791939 0.80 TDP1 (0.59) TDP1SLC6A4HTR3AHTR2CSLC6A2
Hydrochloric Acid SCHEMBL3100548 0.80 RBP4 (0.57) EGFRFGFR1FLT1FLT4KDR
Hydrochloric Acid SCHEMBL1474990 0.79 TDP1 (0.62) TDP1SLC6A4HTR3AHTR2CSLC6A2
SCHEMBL20428527 0.79 CA12 (0.55) TDP1PDE4B

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-0480794-A1 2-Aminopyrimidine-4-carboxamide derivatives, their preparation and therapeutic use SYNTHELABO (FR) 1992-04-15 EP disclosed