SCHEMBL11490646

SCHEMBL11490646

NCCC(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.62
NPC1 O15118 2/20 0.62
HTR7 P34969 1/20 0.55
BCL2L1 Q07817 1/20 0.53
BAD Q92934 1/20 0.53
PTPN1 P18031 2/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
FFAR1 O14842 1/20 0.52
LMNA P02545 1/20 0.52
CYP1A2 P05177 1/20 0.52
HIF1A Q16665 1/20 0.52
HPGD P15428 2/20 0.50
HSD11B1 P28845 2/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SIGMAR1 Q99720 1/20 0.47
PLOD2 O00469 1/20 0.46
MAOB P27338 1/20 0.46
KDM4E B2RXH2 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CTNNB1 P35222 1/20 0.45

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
SCHEMBL13770482 0.94 NPC1 (0.69) RAB9ANPC1HTR7PTPN1SMN1; SMN2
Hydrochloric Acid SCHEMBL20491214 0.92 NPC1 (0.67) RAB9ANPC1HTR7PTPN1SMN1; SMN2
SCHEMBL16853371 0.83 L3MBTL1 (0.52) RAB9ANPC1HTR7SMN1; SMN2FFAR1
Hydrochloric Acid SCHEMBL8794334 0.82 BCL2L1 (0.55) RAB9ANPC1HTR7BCL2L1BAD
SCHEMBL15607726 0.82 NPC1 (0.77) RAB9ANPC1HTR7PTPN1SMN1; SMN2
SCHEMBL26584242 0.81 NPC1 (0.82) RAB9ANPC1HTR7PTPN1SMN1; SMN2
SCHEMBL11489631 0.81 RAB9A (0.62) RAB9ANPC1HTR7BCL2L1BAD
SCHEMBL7864069 0.81 SMN1; SMN2 (0.72) RAB9ANPC1HTR7BCL2L1BAD
SCHEMBL633279 0.79 NPC1 (0.72) RAB9ANPC1HTR7PTPN1SMN1; SMN2
SCHEMBL13670559 0.78 NPC1 (0.69) RAB9ANPC1HTR7BCL2L1BAD

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
US-4239759-A Morpholino containing compounds, compositions and use thereof MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1980-12-16 US disclosed
US-4110447-A Anti-inflammatory (halo-4-biphenylyl)-alkanolamines MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1978-08-29 US disclosed