SCHEMBL27320758

SCHEMBL27320758

COc1ccc2c(c1)CCC(c1ccc(N)cc1)=C2c1ccc(N2CCN(C(C)C)CC2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EBP Q15125 1/20 0.48
SIGMAR1 Q99720 1/20 0.48
ESR1 P03372 3/20 0.44
FYN P06241 1/20 0.43
ALK Q9UM73 2/20 0.41
TLR9 Q9NR96 3/20 0.40
TLR7 Q9NYK1 3/20 0.40
TGFBR1 P36897 3/20 0.40
ACVR1 Q04771 3/20 0.40
KCNH2 Q12809 1/20 0.40
TLR8 Q9NR97 1/20 0.39
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
HSD17B10 Q99714 1/20 0.38
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KMT2A Q03164 2/20 0.36
PKM P14618 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
SCHEMBL27320646 0.91 EBP (0.58) EBPSIGMAR1ESR1TLR9TLR7
SCHEMBL27320752 0.90 EBP (0.48) EBPSIGMAR1ESR1TLR9TLR7
SCHEMBL27320756 0.90 ESR1 (0.57) EBPSIGMAR1ESR1FYNALK
SCHEMBL27320763 0.88 EBP (0.46) EBPSIGMAR1ESR1FYNTLR9
SCHEMBL27322489 0.87 EBP (0.46) EBPSIGMAR1ESR1FYNTLR9
SCHEMBL27322353 0.87 EBP (0.46) EBPSIGMAR1ESR1FYNALK
SCHEMBL27321498 0.86 ESR1 (0.57) EBPSIGMAR1ESR1FYNALK
SCHEMBL27321638 0.86 ESR1 (0.51) ESR1FYNALKMAPTKDM4E
SCHEMBL30912397 0.85 ESR1 (0.64) EBPSIGMAR1ESR1TGFBR1ACVR1
SCHEMBL27321052 0.85 ESR1 (0.64) EBPSIGMAR1ESR1TGFBR1ACVR1

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-2024112123-A1 NOVEL COMPOUND AS SELECTIVE ESTROGEN RECEPTOR MODULATOR 재단법인 대구경북첨단의료산업진흥재단 2024-05-30 WO disclosed