SCHEMBL3837385

SCHEMBL3837385

CCC(O)(C(C)C)C(C)Cc1cccc(CCCN)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
REN P00797 1/20 0.35
TAAR1 Q96RJ0 2/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
NOS1 P29475 2/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR2B P41595 1/20 0.33
HTR6 P50406 1/20 0.33
MAOA P21397 1/20 0.33
KIF11 P52732 1/20 0.33
GHSR Q92847 1/20 0.33
LPL P06858 1/20 0.33
LIPG Q9Y5X9 1/20 0.33
CYP2A6 P11509 1/20 0.33
PNMT P11086 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
SCHEMBL3841819 0.85 REN (0.38) RENTAAR1DRD2DRD1NOS1
SCHEMBL610502 0.81 TAAR1 (0.39) TAAR1DRD2DRD1NOS1HTR6
SCHEMBL3840901 0.79 HTR6 (0.34) RENTAAR1DRD2DRD1NOS1
SCHEMBL3836970 0.78 GGPS1 (0.42) TAAR1
SCHEMBL3843593 0.77 HTR6 (0.35) RENTAAR1DRD2DRD1NOS1
SCHEMBL3173093 0.76 TAAR1 (0.42) TAAR1DRD2DRD1NOS1HTR6
SCHEMBL4073253 0.76 TAAR1 (0.44) TAAR1DRD2DRD1HTR6MAOA
SCHEMBL611314 0.74 TAAR1 (0.38) RENTAAR1DRD2DRD1NOS1
SCHEMBL609566 0.74 KIF11 (0.41) TAAR1DRD2DRD1NOS1HTR6
SCHEMBL17259320 0.73 TAAR1 (0.34) TAAR1DRD2DRD1NOS1HTR6

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-2111223-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS Acucela, Inc. (US) 2009-10-28 EP disclosed
WO-2009058216-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA, INC. (US) 2009-05-07 WO disclosed