SCHEMBL25026748

SCHEMBL25026748

CN1CCC2(CC1)CCN(CC1CNC1)CC2

nearest known ligand 0.32

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
ALOX15 P16050 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30
HIF1A Q16665 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
SCHEMBL31539655 0.86 TLR9 (0.33) TSHRCYP1A2CYP2D6ALOX15MEN1
SCHEMBL25001356 0.82 SIGMAR1 (0.41) CYP1A2CYP2D6ALOX15
SCHEMBL24481344 0.82 GBA1 (0.37) TSHRCYP1A2CYP2D6ALOX15MEN1
SCHEMBL20323643 0.82 ACHE (0.34) TSHRALDH1A1
SCHEMBL24480647 0.81 CYP1A2 (0.32) TSHRCYP1A2CYP2D6ALOX15
SCHEMBL14996488 0.81 NCF1 (0.43) TSHRCYP1A2CYP2D6ALOX15
SCHEMBL24480557 0.81 CYP1A2 (0.32) TSHRCYP1A2CYP2D6ALOX15
SCHEMBL25856125 0.81 TSHR (0.37) TSHRCYP2D6
SCHEMBL29317070 0.80 ACHE (0.35) TSHR
SCHEMBL24480642 0.78 NCF1 (0.41) TSHRCYP1A2CYP2D6ALOX15KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4397661-A1 COMPOUND FOR DEGRADATION OF BCL-2 FAMILY PROTEINS AND MEDICAL APPLICATION THEREOF Xizang Haisco Pharmaceutical Co., Ltd. (CN) 2024-07-10 EP disclosed
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
WO-2023083194-A1 WEE1 PROTEIN KINASE DEGRADATION AGENT AND USE THEREOF 杭州格博生物医药有限公司 2023-05-19 WO disclosed
WO-2023016518-A1 HETEROCYCLIC DERIVATIVE, AND COMPOSITION AND PHARMACEUTICAL USE THEREOF 四川海思科制药有限公司 2023-02-16 WO disclosed