SCHEMBL7446407

SCHEMBL7446407

O=C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.69
NPC1 O15118 1/20 0.69
GLA P06280 1/20 0.69
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
KDM4E B2RXH2 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HSD17B10 Q99714 1/20 0.52
MAPK14 Q16539 1/20 0.48
MAPT P10636 2/20 0.48
GAA P10253 1/20 0.48
TP53 P04637 1/20 0.47
MDM2 Q00987 1/20 0.47
P2RX7 Q99572 1/20 0.46
SPR P35270 1/20 0.44
ALDH1A1 P00352 2/20 0.44
LMNA P02545 2/20 0.43
HTT P42858 1/20 0.43
RXFP1 Q9HBX9 1/20 0.42
CCR5 P51681 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
SCHEMBL9585876 0.79 HPGD (0.59) HPGDNPC1GLAKMT2AMEN1
SCHEMBL4095413 0.79 CCR5 (0.46) HPGDNPC1GLAKDM4EMAPT
SCHEMBL1777672 0.79 LMNA (0.71) HPGDKMT2AKDM4EMAPK14SPR
SCHEMBL6807257 0.79 NPC1 (0.69) HPGDNPC1GLAKMT2AMEN1
SCHEMBL13198827 0.77 NPC1 (0.67) HPGDNPC1GLAKMT2AMEN1
SCHEMBL6356691 0.77 HPGD (0.73) HPGDNPC1GLAKMT2AMEN1
SCHEMBL23064287 0.76 GAA (0.67) HPGDNPC1GLAKMT2AMEN1
SCHEMBL3758796 0.76 NPC1 (0.65) HPGDNPC1GLAKMT2AMEN1
SCHEMBL7311576 0.76 RAB9A (0.69) HPGDNPC1GLAKMT2AMEN1
SCHEMBL3758799 0.75 NPC1 (0.63) HPGDNPC1GLAKMT2AMEN1

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-4499100-A CARDIOUVASCULAR DISORDERS SYNTEX (U.S.A.) INC. (US) 1985-02-12 US disclosed