SCHEMBL29926137

SCHEMBL29926137

CCCCCC/C=C\CCCCCCCC(=O)NCCc1c[nH]c2ccccc12

nearest known ligand 0.87

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.87
TRPV1 Q8NER1 7/20 0.76
MEN1 O00255 2/20 0.69
KMT2A Q03164 2/20 0.69
FAAH O00519 2/20 0.69
PTGS2 P35354 1/20 0.69
EPHX2 P34913 2/20 0.61
MAPT P10636 1/20 0.58
UBE2N P61088 1/20 0.58
AANAT Q16613 1/20 0.58
LMNA P02545 1/20 0.57
CYP1A2 P05177 1/20 0.57
PKM P14618 1/20 0.57
TSHR P16473 1/20 0.57
CYP2C19 P33261 1/20 0.57
BLM P54132 1/20 0.57

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
SCHEMBL1728074 0.98 MTNR1A (0.84) MTNR1ATRPV1MEN1KMT2AFAAH
SCHEMBL1728072 0.98 MTNR1A (0.84) MTNR1ATRPV1MEN1KMT2AFAAH
SCHEMBL25080192 0.98 MTNR1A (0.84) MTNR1ATRPV1MEN1KMT2AFAAH
SCHEMBL1728075 0.98 MTNR1A (0.84) MTNR1ATRPV1MEN1KMT2AFAAH
SCHEMBL1725354 0.93 MTNR1A (1.00) MTNR1ATRPV1MEN1KMT2AMAPT
SCHEMBL1066221 0.93 MTNR1A (1.00) MTNR1ATRPV1MEN1KMT2AMAPT
SCHEMBL3806536 0.93 MTNR1A (1.00) MTNR1ATRPV1MEN1KMT2AMAPT
SCHEMBL1727281 0.93 MTNR1A (1.00) MTNR1ATRPV1MEN1KMT2AMAPT
SCHEMBL1724741 0.93 MTNR1A (1.00) MTNR1ATRPV1MEN1KMT2AMAPT
SCHEMBL22411433 0.93 MTNR1A (1.00) MTNR1ATRPV1MEN1KMT2AMAPT

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
US-11441162-B2 Human gut microbiome-derived biosynthetic enzymes for production of fatty acid amides MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2022-09-13 US disclosed