SCHEMBL30604584

SCHEMBL30604584

CCOc1cc2c(cc1Br)CCN(Cc1ccccc1)C2=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 2/20 0.52
LMNA P02545 6/20 0.47
HTT P42858 3/20 0.47
TSHR P16473 1/20 0.47
SMN1; SMN2 Q16637 6/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
NCOA3 Q9Y6Q9 1/20 0.45
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
ALDH1A1 P00352 4/20 0.42
DHPS P49366 1/20 0.42
MAPT P10636 1/20 0.41
PKM P14618 3/20 0.41
EZH2 Q15910 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40

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
SCHEMBL28638924 1.00 GRM5 (0.52) GRM5LMNAHTTTSHRSMN1; SMN2
SCHEMBL30604579 0.89 GRM5 (0.58) GRM5LMNASMN1; SMN2L3MBTL1NCOA3
SCHEMBL28641201 0.89 GRM5 (0.58) GRM5LMNASMN1; SMN2L3MBTL1NCOA3
SCHEMBL28633468 0.88 KMT2A (0.46) LMNAHTTTSHRKMT2AMEN1
SCHEMBL30604607 0.88 KMT2A (0.51) GRM5LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL28636452 0.88 KMT2A (0.51) GRM5LMNAHTTSMN1; SMN2L3MBTL1
SCHEMBL30604585 0.83 MEN1 (0.47) GRM5LMNAHTTTSHRSMN1; SMN2
SCHEMBL28633459 0.83 MEN1 (0.47) GRM5LMNAHTTTSHRSMN1; SMN2
SCHEMBL31134765 0.82 GRM5 (0.60) GRM5KMT2AMEN1DRD4
SCHEMBL30604561 0.79 GRM5 (0.57) GRM5LMNASMN1; SMN2L3MBTL1NCOA3

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-113493438-B Tetrahydroisoquinoline compounds 南京再明医药有限公司 2023-10-20 CN disclosed