SCHEMBL27320321

SCHEMBL27320321

CC1CCN(Cc2cc(F)c3nc(C4CCOCC4)ccc3c2)C1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 2/20 0.39
▸ MAP4K4 O95819 3/20 0.36
▸ SHMT2 P34897 3/20 0.34
▸ PDE9A O76083 1/20 0.34
▸ OPRK1 P41145 3/20 0.34
▸ DRD4 P21917 2/20 0.33
▸ HTR1A P08908 1/20 0.33
▸ DRD2 P14416 1/20 0.33
▸ PDE2A O00408 3/20 0.33
▸ SIGMAR1 Q99720 2/20 0.33
▸ OPRM1 P35372 1/20 0.33
▸ TMEM97 Q5BJF2 1/20 0.33
▸ HRH3 Q9Y5N1 2/20 0.33
▸ KCNH2 Q12809 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) MAP4K4SHMT2DRD4HTR1ADRD2
SCHEMBL27320077 0.82 HRH3 (0.47) ACHEPDE9ADRD4DRD2PDE2A
SCHEMBL27320705 0.80 ALDH1A1 (0.39) MAP4K4SHMT2OPRK1PDE2AOPRM1
SCHEMBL27320436 0.76 HRH3 (0.46) ACHEHRH3KCNH2
SCHEMBL27320503 0.73 HRH3 (0.37) MAP4K4DRD4DRD2HRH3KCNH2
SCHEMBL27320154 0.72 HRH3 (0.46) ACHEMAP4K4DRD4HTR1ADRD2
SCHEMBL27320556 0.71 HRH3 (0.36) MAP4K4PDE2AHRH3KCNH2
SCHEMBL27152973 0.71 KDM4E (0.38) SHMT2OPRK1OPRM1
SCHEMBL30718666 0.71 KDM4E (0.38) SHMT2OPRK1OPRM1
SCHEMBL31413470 0.68 SHMT2 (0.35) SHMT2PDE2A

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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