SCHEMBL7795341

SCHEMBL7795341

C=CC(=O)NC(CC)C1CNCCO1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.34
TSHR P16473 1/20 0.34
SLC6A4 P31645 5/20 0.34
SSTR4 P31391 2/20 0.33
SLC6A3 Q01959 3/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MLNR O43193 1/20 0.32
ADRB2 P07550 1/20 0.32
CHRM2 P08172 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 1/20 0.32
HTR2C P28335 1/20 0.32
OPRK1 P41145 1/20 0.32
KCNH2 Q12809 1/20 0.32
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL17688821 0.83 SLC6A2 (0.37) SLC6A2SLC6A4SSTR4SLC6A3MEN1
SCHEMBL28248778 0.82 TSHR (0.41) SLC6A2TSHRSLC6A4SSTR4SLC6A3
SCHEMBL1082772 0.76 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL10916636 0.76 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL123771 0.75 MEN1 (0.43) MEN1KMT2AALDH1A1MAPK1
Lactic Acid SCHEMBL15468139 0.75 SLC6A2 (0.33) SLC6A2SLC6A4SLC6A3MEN1KMT2A
SCHEMBL561432 0.75 SLC6A2 (0.38) SLC6A2SLC6A4SSTR4SLC6A3MEN1
Acetic Acid SCHEMBL9844379 0.73 FAAH (0.40) MEN1KMT2AMAPK1
SCHEMBL9744873 0.73 SLC6A2 (0.35) SLC6A2SLC6A4SSTR4SLC6A3MEN1
Phosphoric Acid SCHEMBL9844245 0.72 MEN1 (0.40) MEN1KMT2AMAPK1

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-1154750-A1 WASHING COMPOSITION FOR KERATINOUS MATERIALS BASED ON WATER-SOLUBLE ORGANIC SILICON COMPOUNDS L'OREAL (FR) 2001-11-21 EP disclosed
WO-2000048557-A1 WASHING COMPOSITION FOR KERATINOUS MATERIALS BASED ON WATER-SOLUBLE ORGANIC SILICON COMPOUNDS L'OREAL (FR) 2000-08-24 WO disclosed