SCHEMBL25870578

SCHEMBL25870578

CC(C)CN1CCN(CC(=O)N2CCC(NC(C)C)CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.46
GAA P10253 2/20 0.42
ALDH1A1 P00352 4/20 0.42
PKM P14618 1/20 0.40
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.39
EPHX2 P34913 5/20 0.39
CYP2D6 P10635 1/20 0.38
LMNA P02545 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 2/20 0.36
BIRC2 Q13490 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL25876511 0.87 CYP2D6 (0.51) PIK3CDGAAALDH1A1SMN1; SMN2CYP2D6
SCHEMBL23696209 0.81 ROCK2 (0.43) PIK3CDALDH1A1SMN1; SMN2CYP2D6KDM4E
SCHEMBL25121836 0.78 PTPN1 (0.50) ALDH1A1SMN1; SMN2KMT2AEPHX2KDM4E
SCHEMBL26171349 0.78 PIK3CD (0.51) PIK3CDGAAALDH1A1PKMRECQL
SCHEMBL19229769 0.76 EPHX2 (0.63) EPHX2
SCHEMBL16327867 0.74 ALDH1A1 (0.38) ALDH1A1PKMKMT2AEPHX2TSHR
SCHEMBL25571532 0.74 HSD17B10 (0.40) ALDH1A1PKMEPHX2TSHRHSD17B10
SCHEMBL16216045 0.74 HSD17B10 (0.71) PIK3CDGAAALDH1A1RECQLSMN1; SMN2
SCHEMBL13254064 0.73 ALDH1A1 (0.38) ALDH1A1PKMKMT2AEPHX2TSHR
SCHEMBL23553269 0.72 CHRM5 (0.58) GAAALDH1A1SMN1; SMN2KDM4ETDP1

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
WO-2023116920-A1 PENTA- FUSED HEXA-HETEROCYCLIC COMPOUND, PREPARATION METHOD, PHARMACEUTICAL COMPOSITION AND USE 杭州多域生物技术有限公司 2023-06-29 WO disclosed