SCHEMBL7892004

SCHEMBL7892004

CN(C(=O)n1cnc(-c2ccccc2)c1)C1CCN(CCO)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.54
CES2 O00748 1/20 0.54
POLB P06746 1/20 0.46
CCR5 P51681 11/20 0.46
KCNH2 Q12809 1/20 0.43
USP19 O94966 1/20 0.42
GPR119 Q8TDV5 1/20 0.41
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41
SLC18A3 Q16572 1/20 0.40
MCHR1 Q99705 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
SCHEMBL427359 0.89 FAAH (0.52) FAAHCES2KCNH2DRD2DRD4
SCHEMBL428068 0.88 FAAH (0.46) FAAHCES2CCR5MCHR1
SCHEMBL424816 0.87 DRD2 (0.57) FAAHCES2KCNH2DRD2DRD4
SCHEMBL7893697 0.85 FAAH (0.52) FAAHCES2POLBCCR5USP19
SCHEMBL12473853 0.84 FAAH (0.58) FAAHCES2POLBUSP19GPR119
SCHEMBL427415 0.83 DRD2 (0.52) FAAHCES2KCNH2DRD2DRD4
SCHEMBL427987 0.83 FAAH (0.42) FAAHCES2CCR5KCNH2MCHR1
SCHEMBL424383 0.83 FAAH (0.74) FAAHCES2POLBUSP19
SCHEMBL424977 0.83 FAAH (0.50) FAAHCES2CCR5DRD2DRD4
SCHEMBL425070 0.83 FAAH (0.50) FAAHCES2DRD2DRD4DRD3

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
WO-2010074588-A2 PHARMACEUTICAL COMPOUNDS BIAL - PORTELA & Cª, S.A. (PT) 2010-07-01 WO disclosed