SCHEMBL1727741

SCHEMBL1727741

O=C(O)NCCC1CCN(c2ccccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CHRM4 P08173 9/20 0.56
DRD2 P14416 2/20 0.55
ALDH1A1 P00352 3/20 0.50
KDM4E B2RXH2 3/20 0.50
HSD17B10 Q99714 2/20 0.50
DRD3 P35462 1/20 0.48
GPR119 Q8TDV5 1/20 0.48
THRB P10828 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
HPGD P15428 1/20 0.48
RECQL P46063 1/20 0.48

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
SCHEMBL22776419 0.87 ALDH1A1 (0.52) DRD2ALDH1A1KDM4EHSD17B10THRB
SCHEMBL1729606 0.84 CHRM4 (0.57) CHRM4
SCHEMBL4417334 0.83 GPR119 (0.59) CHRM4DRD2ALDH1A1KDM4EHSD17B10
SCHEMBL1728830 0.82 CHRM4 (0.47) CHRM4DRD2ALDH1A1KDM4EHSD17B10
SCHEMBL1728737 0.82 HSD11B1 (0.49) CHRM4
SCHEMBL1728933 0.82 KDM4E (0.54) CHRM4ALDH1A1KDM4EGPR119THRB
SCHEMBL4371640 0.81 ALDH1A1 (0.54) DRD2ALDH1A1KDM4EHSD17B10DRD3
SCHEMBL4420854 0.81 DRD2 (0.51) CHRM4DRD2ALDH1A1KDM4EHSD17B10
SCHEMBL1727758 0.81 CHRM4 (0.45) CHRM4
SCHEMBL1728425 0.81 HTR1A (0.51) CHRM4DRD2DRD3

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-1633735-B1 DERIVATIVES OF PIPERIDINYL- AND PIPERAZINYL-ALKYL CARBAMATES, PREPARATION METHODS THEREOF AND APPLICATION OF SAME IN THERAPEUTICS SANOFI SA (FR) 2011-11-30 EP claimed