SCHEMBL25856391

SCHEMBL25856391

C1CN(CC2CCN(C3CCC4(CCNCC4)CC3)CC2)CCN1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
HIF1A Q16665 1/20 0.33
CHRM5 P08912 1/20 0.32
ADRA2C P18825 1/20 0.32
HPGD P15428 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
L3MBTL3 Q96JM7 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL27119181 0.87 TSHR (0.38) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL25856382 0.85 TACR1 (0.31)
SCHEMBL29317328 0.84
SCHEMBL24480971 0.83 CHRM5 (0.38) KMT2ACHRM5ADRA2CHPGDHRH3
SCHEMBL13190119 0.81 HTR6 (0.41) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL29317239 0.80 ACHE (0.41) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL24480840 0.80 L3MBTL3 (0.33) MEN1ALDH1A1CYP2C9TSHRCYP2C19
SCHEMBL25856205 0.78 GBA1 (0.35) KMT2AHPGDHRH3
SCHEMBL25027122 0.78 NCF1 (0.37) ALDH1A1KMT2ACHRM5ADRA2CHPGD
SCHEMBL25856575 0.78 NCF1 (0.37) ALDH1A1KMT2ACHRM5ADRA2CHPGD

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-2023131167-A1 COMPOUND FOR INHIBITING AND DEGRADING IRAK4, AND PHARMACEUTICAL COMPOSITION AND PHARMACEUTICAL APPLICATION THEREOF 海思科医药集团股份有限公司 2023-07-13 WO disclosed