SCHEMBL25565972

SCHEMBL25565972

CN(C(=O)C1CCNCC1)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRA1 P14867 1/20 0.46
TSHR P16473 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA5 P31644 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
GABRB2 P47870 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
PMP22 Q01453 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
CHRM1 P11229 1/20 0.37
MEN1 O00255 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
SCHEMBL12141653 0.96 GABRP (0.41) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL25569231 0.87 GABRP (0.39) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL11616 0.84 SLC6A4 (0.46) CYP2D6SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL17961728 0.84 SLC6A4 (0.46) CYP2D6SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL17961761 0.84 SLC6A4 (0.46) CYP2D6SLC6A4KCNH2SLC6A2SLC6A3
Hydrochloric Acid SCHEMBL21772854 0.82 SLC6A4 (0.44) CYP2D6SLC6A4KCNH2SLC6A2SLC6A3
SCHEMBL21772847 0.81 SLC6A4 (0.44) TSHRCYP2D6KMT2ASLC6A4KCNH2
SCHEMBL40096 0.80 GABRA1 (0.52) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL13903027 0.80 GLI1 (0.38) GABRPGABRDGABRA1TSHRGABRB1
SCHEMBL17192615 0.80 DPP4 (0.43) TSHRKCNH2CCR5

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-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