SCHEMBL27320503

SCHEMBL27320503

c1cc2cc(CN3CCCC3)cc(C3CC3)c2nc1C1CCOCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 5/20 0.37
▸ CNR2 P34972 1/20 0.35
▸ KCNH2 Q12809 2/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAP4K4 O95819 1/20 0.34
▸ CXCR4 P61073 1/20 0.33
▸ MCHR1 Q99705 1/20 0.33
▸ ADORA2A P29274 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EHMT2 Q96KQ7 1/20 0.33
▸ LRRK2 Q5S007 1/20 0.32
▸ DRD2 P14416 1/20 0.32
▸ DRD4 P21917 1/20 0.32
▸ DRD3 P35462 1/20 0.32
▸ L3MBTL3 Q96JM7 1/20 0.32
▸ L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL27320131 0.86 ALDH1A1 (0.41) HRH3CNR2KCNH2KMT2AMAP4K4
SCHEMBL27320556 0.84 HRH3 (0.36) HRH3CNR2KCNH2KMT2AMAP4K4
SCHEMBL31413473 0.82 PIK3CD (0.38) HRH3CNR2KCNH2PIK3CDPIK3CA
SCHEMBL27153214 0.82 PIK3CD (0.38) HRH3CNR2KCNH2PIK3CDPIK3CA
SCHEMBL27320181 0.80 HRH3 (0.49) HRH3CNR2KCNH2KMT2APOLB
SCHEMBL27320705 0.80 ALDH1A1 (0.39) HRH3MAP4K4MCHR1SMN1; SMN2
SCHEMBL27320489 0.75 HSP90AB1 (0.42) HRH3PIK3CDPIK3CALRRK2
SCHEMBL27320336 0.73 HRH3 (0.47) HRH3KCNH2POLBSMN1; SMN2
SCHEMBL27320321 0.73 ACHE (0.39) HRH3KCNH2MAP4K4DRD2DRD4
SCHEMBL27318949 0.72 HRH3 (0.57) HRH3KCNH2KMT2AMEN1MCHR1

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-2024006881-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 — — WO disclosed
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