SCHEMBL16823322

SCHEMBL16823322

CN(C)CCNCC1CCCN1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.37
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
IDO1 P14902 3/20 0.33
TDO2 P48775 3/20 0.33
PKM P14618 1/20 0.33
PRMT3 O60678 1/20 0.31
CARM1 Q86X55 1/20 0.31
PRMT6 Q96LA8 1/20 0.31
PRMT1 Q99873 1/20 0.31
PRMT8 Q9NR22 1/20 0.31

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
SCHEMBL16558839 1.00 L3MBTL1 (0.37) L3MBTL1CYP2C9CYP2C19IDO1TDO2
SCHEMBL4368185 0.79 GNAI3 (0.36)
SCHEMBL15372476 0.79 GNAI3 (0.36)
SCHEMBL13355756 0.79 SAT1 (0.36) IDO1TDO2
SCHEMBL10867271 0.77 CYP2D6 (0.44) IDO1TDO2
SCHEMBL19415302 0.76 IDO1 (0.35) IDO1TDO2
SCHEMBL5046593 0.76 IKBKB (0.34) IDO1TDO2
SCHEMBL13694051 0.75 DPP4 (0.35) IDO1TDO2
SCHEMBL25555110 0.75 CYP2D6 (0.33) IDO1TDO2
SCHEMBL9550018 0.75

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9409855-B2 Asymmetric synthesis of (−)-venlafaxine using organocatalyst COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-09 US claimed
US-20150175524-A1 ASYMMETRIC SYNTHESIS OF (-)-VENLAFAXINE USING ORGANOCATALYST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-06-25 US claimed
US-9409855-B2 Asymmetric synthesis of (−)-venlafaxine using organocatalyst COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2016-08-09 US disclosed
US-20150175524-A1 ASYMMETRIC SYNTHESIS OF (-)-VENLAFAXINE USING ORGANOCATALYST COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2015-06-25 US disclosed