SCHEMBL31218931

SCHEMBL31218931

CC(C)(C)OC(=O)N1CCNCC1CCCOCCc1ccc(Br)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.44
▸ FPR2 P25090 2/20 0.37
▸ FPR3 P25089 1/20 0.37
▸ GPR119 Q8TDV5 3/20 0.35
▸ NR1H2 P55055 3/20 0.35
▸ NR1H3 Q13133 3/20 0.35
▸ MC4R P32245 1/20 0.34
▸ MC5R P33032 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ OPRK1 P41145 1/20 0.33
▸ RORC P51449 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ATM Q13315 2/20 0.33
▸ CA1 P00915 1/20 0.32
▸ CA2 P00918 1/20 0.32
▸ CA4 P22748 1/20 0.32
▸ CA9 Q16790 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
SCHEMBL29824679 0.81 PARP1 (0.44) PARP1FPR2FPR3GPR119NR1H2
SCHEMBL27904548 0.81 PARP1 (0.46) PARP1NR1H2NR1H3CA1CA2
SCHEMBL873250 0.81 PARP1 (0.46) PARP1NR1H2NR1H3CA1CA2
SCHEMBL5796411 0.79 PARP1 (0.48) PARP1NR1H2NR1H3MC4RMC5R
SCHEMBL4710881 0.78 PARP1 (0.48) PARP1NR1H2NR1H3CA1CA2
SCHEMBL7460398 0.78 PARP1 (0.48) PARP1GPR119NR1H2NR1H3ATM
SCHEMBL8575126 0.78 PARP1 (0.48) PARP1GPR119NR1H2NR1H3ATM
SCHEMBL31218759 0.77 PARP1 (0.52) PARP1NR1H2NR1H3ATMCA1
SCHEMBL5224956 0.75 PARP1 (0.50) PARP1KMT2AALDH1A1ATMCA1
SCHEMBL5224952 0.75 PARP1 (0.50) PARP1KMT2AALDH1A1ATMCA1

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
CN-119013277-A TYK2 degrading agent and application thereof 凯麦拉医疗公司 2024-11-22 — — CN disclosed
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