SCHEMBL14626164

SCHEMBL14626164

CC(=O)N1CC=C(c2ccc(CO)cc2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.63
NAMPT P43490 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
HRH3 Q9Y5N1 3/20 0.45
BRD4 O60885 1/20 0.45
CREBBP Q92793 1/20 0.45
WNT3A P56704 1/20 0.44
ALDH1A1 P00352 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
ALOX15 P16050 2/20 0.43
RAB9A P51151 2/20 0.43
TSHR P16473 1/20 0.43
CNR1 P21554 1/20 0.43
KCNH2 Q12809 1/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
CASP3 P42574 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL14496802 0.84 QDPR (0.70) QDPRNAMPTMEN1KMT2AHRH3
SCHEMBL14320389 0.81 QDPR (0.67) QDPRNAMPTMEN1KMT2AHRH3
SCHEMBL14393509 0.81 QDPR (0.67) QDPRNAMPTALDH1A1SMN1; SMN2NPC1
SCHEMBL11543936 0.81 QDPR (0.66) QDPRMEN1KMT2AHRH3ALDH1A1
SCHEMBL14023921 0.79 QDPR (0.53) QDPRNAMPTMEN1KMT2AHRH3
SCHEMBL14340513 0.79 QDPR (0.67) QDPRNAMPTMEN1KMT2ABRD4
SCHEMBL27676365 0.78 QDPR (0.62) QDPRNAMPTMEN1KMT2AHRH3
SCHEMBL3835485 0.78 QDPR (0.53) QDPRNAMPTMEN1KMT2AHRH3
SCHEMBL7739767 0.78 QDPR (1.00) QDPRNAMPTMEN1KMT2AHRH3
SCHEMBL15095880 0.75 QDPR (0.59) QDPRNAMPTMEN1KMT2ABRD4

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-7160877-B2 Aliphatic nitrogen-containing 5-membered ring compound TANABE SEIYAKU CO., LTD. (JP) 2007-01-09 US disclosed