SCHEMBL1727730

SCHEMBL1727730

CNC(=O)CN(CCN1CCN(c2cccc(-c3cccc(OC)c3)n2)CC1)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
CNR1 P21554 2/20 0.45
HTT P42858 1/20 0.45
DRD4 P21917 2/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP1A2 P05177 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MAPK1 P28482 2/20 0.41
TP53 P04637 1/20 0.41
RECQL P46063 1/20 0.41
DRD2 P14416 1/20 0.41

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
SCHEMBL1730370 0.91 CNR1 (0.44) MAPTALDH1A1LMNASMN1; SMN2CNR1
SCHEMBL1727872 0.91 CASR (0.42) MAPTALDH1A1LMNASMN1; SMN2CNR1
SCHEMBL1730286 0.90 CNR1 (0.44) MAPTALDH1A1LMNASMN1; SMN2CNR1
SCHEMBL1727718 0.88 CNR1 (0.47) MAPTCNR1DRD4KMT2ADRD2
SCHEMBL1728845 0.85 CNR1 (0.45) CNR1DRD4DRD2CASRPIM1
SCHEMBL1730213 0.85 DRD4 (0.47) MAPTLMNASMN1; SMN2HTTDRD4
SCHEMBL1727691 0.84 CNR1 (0.41) MAPTALDH1A1LMNACNR1DRD4
SCHEMBL1729330 0.84 MCHR1 (0.41) ALDH1A1LMNASMN1; SMN2DRD4MEN1
SCHEMBL1727866 0.82 CNR1 (0.44) CNR1DRD4DRD2CASR
SCHEMBL1729806 0.80 CNR1 (0.44) MAPTALDH1A1LMNASMN1; SMN2CNR1

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