SCHEMBL28808121

SCHEMBL28808121

O=C(Nc1cccc(Br)n1)c1ccc(Cl)cc1

nearest known ligand 0.78

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.78
CHRNB2 P17787 2/20 0.61
CHRNA4 P43681 2/20 0.61
CHRNB4 P30926 1/20 0.60
CHRNA3 P32297 1/20 0.60
NPC1 O15118 3/20 0.57
RAB9A P51151 3/20 0.57
KMT2A Q03164 5/20 0.57
MEN1 O00255 3/20 0.57
GRM5 P41594 4/20 0.56
TDP1 Q9NUW8 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
GAA P10253 1/20 0.50
KDR P35968 1/20 0.50
HTR1F P30939 1/20 0.50
PPARG P37231 1/20 0.49
NR2E3 Q9Y5X4 1/20 0.49
NCOR2 Q9Y618 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL23286796 0.87 KMT2A (0.77) RXFP1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL29738098 0.87 KMT2A (0.77) RXFP1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28808130 0.86 CHRNB2 (0.60) RXFP1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL3499621 0.81 CHRNB2 (0.59) RXFP1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL26310094 0.81 KMT2A (0.60) RXFP1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28937135 0.81 RXFP1 (0.78) RXFP1NPC1RAB9AKMT2AMEN1
SCHEMBL28327587 0.81 RXFP1 (0.78) RXFP1CHRNB2CHRNA4CHRNB4CHRNA3
SCHEMBL28808136 0.79 HTR1F (0.57) RXFP1NPC1RAB9AKMT2AMEN1
SCHEMBL28937139 0.77 RXFP1 (0.71) RXFP1NPC1RAB9AKMT2AMEN1
SCHEMBL10068144 0.77 RXFP1 (0.71) RXFP1NPC1RAB9AKMT2AMEN1

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
CN-114728929-A Pyridine methylene piperidine derivatives and use thereof 广东东阳光药业有限公司 2022-07-08 CN disclosed