SCHEMBL25640465

SCHEMBL25640465

CC(C)c1ccccc1[C@@H]1CN(Cc2ccc3c(c2)OCCO3)CCN1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.48
LMNA P02545 1/20 0.44
TSHR P16473 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
GLA P06280 1/20 0.40
FAAH O00519 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ALDH1A1 P00352 2/20 0.38
CHRM3 P20309 3/20 0.38
GAA P10253 1/20 0.38
PDE2A O00408 1/20 0.37
RECQL P46063 1/20 0.37
ROCK2 O75116 1/20 0.37

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
SCHEMBL25743441 0.94 LMNA (0.51) LMNATSHRKDM4EHSD17B10ALDH1A1
SCHEMBL25640538 0.94 LMNA (0.51) LMNATSHRKDM4EHSD17B10ALDH1A1
SCHEMBL30287271 0.93 LMNA (0.43) CYP2D6LMNATSHRKDM4EHSD17B10
SCHEMBL23924832 0.89 LMNA (0.36) CYP2D6LMNATSHRFAAHALDH1A1
SCHEMBL25203235 0.89 LMNA (0.36) CYP2D6LMNATSHRFAAHALDH1A1
SCHEMBL25353494 0.85 CYP2D6 (0.46) CYP2D6LMNATSHRSMN1; SMN2KMT2A
SCHEMBL25353488 0.85 CYP2D6 (0.46) CYP2D6LMNATSHRSMN1; SMN2KMT2A
SCHEMBL30453323 0.85 CYP2D6 (0.46) CYP2D6LMNATSHRSMN1; SMN2KMT2A
SCHEMBL25743783 0.85 LMNA (0.36) CYP2D6LMNAFAAHCHRM3PDE2A
SCHEMBL23943578 0.84 LMNA (0.37) CYP2D6LMNATSHRFAAHALDH1A1

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-2023104043-A1 ANTI-APOPTOTIC PROTEIN BCL-2 INHIBITOR, PHARMACEUTICAL COMPOSITION AND USES THEREOF 杭州和正医药有限公司 2023-06-15 WO disclosed