SCHEMBL25640475

SCHEMBL25640475

CC(C)c1ccccc1[C@@H]1CN(Cc2cccnc2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
DRD3 P35462 1/20 0.40
KMT2A Q03164 1/20 0.39
TRPV6 Q9H1D0 2/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL25640474 0.88 PKM (0.41) ALDH1A1KDM4EKMT2ATRPV6LMNA
SCHEMBL25354748 0.84 DRD4 (0.43) CHRNB2CHRNA4ALDH1A1KDM4ETDP1
SCHEMBL25354750 0.84 DRD4 (0.43) CHRNB2CHRNA4ALDH1A1KDM4ETDP1
SCHEMBL31677627 0.83 KCNJ1 (0.39) KDM4ETDP1MAPK1
SCHEMBL25640470 0.83 KCNJ1 (0.39) KDM4ETDP1MAPK1
SCHEMBL25640507 0.82 HRH3 (0.40) TDP1KMT2A
SCHEMBL25478882 0.82 LTA4H (0.39) ALDH1A1KDM4E
SCHEMBL25640513 0.82 TACR1 (0.40) ALDH1A1DRD2DRD4HTTLMNA
SCHEMBL25221452 0.81 TRPV6 (0.44) TRPV6
SCHEMBL30414542 0.81 TRPV6 (0.44) TRPV6

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