SCHEMBL4440476

SCHEMBL4440476

CCC(=O)N1CCC(Sc2ccccc2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BLM P54132 1/20 0.53
▸ EPHX2 P34913 8/20 0.52
▸ CARM1 Q86X55 1/20 0.50
▸ PRMT6 Q96LA8 1/20 0.50
▸ ALDH1A1 P00352 4/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ RIPK1 Q13546 1/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ LMNA P02545 1/20 0.46
▸ HPGD P15428 1/20 0.45
▸ OPRM1 P35372 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ KMT2A Q03164 1/20 0.43

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
SCHEMBL18318833 0.85 EPHX2 (0.54) BLMEPHX2ALDH1A1RAB9ASMN1; SMN2
SCHEMBL3125608 0.82 CARM1 (0.49) CARM1PRMT6ALDH1A1HSD17B10RAB9A
SCHEMBL18318495 0.77 CYP11B2 (0.55) —
SCHEMBL18318741 0.77 PIK3CA (0.51) —
SCHEMBL3128872 0.77 GPR119 (0.61) SMN1; SMN2MEN1KMT2A
SCHEMBL4034093 0.76 ALDH1A1 (0.57) BLMEPHX2ALDH1A1RIPK1RAB9A
SCHEMBL4773959 0.76 KDM1A (0.53) EPHX2CARM1PRMT6ALDH1A1RIPK1
SCHEMBL10799850 0.74 CARM1 (0.46) CARM1PRMT6ALDH1A1LMNAHPGD
SCHEMBL14294137 0.74 BLM (0.62) BLMEPHX2ALDH1A1RIPK1LMNA
SCHEMBL8124437 0.74 ALDH1A1 (0.72) ALDH1A1RAB9ALMNAL3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021005-A1 METHODS AND COMPOSITION FOR TREATMENT OF INFLAMMATORY PAIN CNSBIO PTY LTD (AU) 2009-02-11 — — EP disclosed
WO-2007128056-A1 METHODS AND COMPOSITION FOR TREATMENT OF INFLAMMATORY PAIN CNSBIO PTY LTD (AU) 2007-11-15 — — WO disclosed
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