SCHEMBL20178173

SCHEMBL20178173

O=C(C1CCCCO1)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.57
POLB P06746 2/20 0.55
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 2/20 0.53
TSHR P16473 2/20 0.53
HSD17B10 Q99714 1/20 0.53
FASN P49327 2/20 0.49
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CNR2 P34972 1/20 0.48
HTT P42858 1/20 0.48
HPGD P15428 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL28313549 1.00 RECQL (0.57) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL28312550 0.94 RECQL (0.63) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL12489672 0.94 RECQL (0.63) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL11969437 0.92 RECQL (0.61) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL2676212 0.88 RECQL (0.54) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL30072373 0.88 HPGD (0.56) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL15431609 0.85 RECQL (0.55) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL11508133 0.85 CHRNB2 (0.52) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL2677323 0.82 RECQL (0.59) RECQLPOLBALDH1A1KDM4ETSHR
SCHEMBL22874739 0.81 RECQL (0.51) RECQLPOLBALDH1A1KDM4ETSHR

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-9981910-B2 Substituted pyrrolidines and methods of use ABBVIE S.Á.R.L. (LU) 2018-05-29 US disclosed