SCHEMBL29912620

SCHEMBL29912620

CN(Cc1cc(F)cc(F)c1F)C(=O)C1(c2ccccc2)CC1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 10/20 0.61
▸ HSD11B1 P28845 4/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ OPRM1 P35372 1/20 0.41
▸ SIGMAR1 Q99720 1/20 0.40
▸ EP300 Q09472 1/20 0.39
▸ NCOA1 Q15788 1/20 0.39
▸ NCOA3 Q9Y6Q9 1/20 0.39
▸ TACR3 P29371 1/20 0.38

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
SCHEMBL17874096 1.00 RIPK1 (0.61) RIPK1HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL29912615 0.95 RIPK1 (0.65) RIPK1HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL17874090 0.95 RIPK1 (0.65) RIPK1HSD11B1CYP3A4CYP2D6CYP2C9
SCHEMBL17882182 0.79 RIPK1 (0.87) RIPK1HSD11B1
SCHEMBL17882197 0.76 RIPK1 (1.00) RIPK1HSD11B1
SCHEMBL17882290 0.74 RIPK1 (1.00) RIPK1
SCHEMBL17882203 0.74 RIPK1 (1.00) RIPK1HSD11B1
SCHEMBL17882289 0.72 RIPK1 (0.65) RIPK1HSD11B1CYP3A4
SCHEMBL7899556 0.71 OPRM1 (0.51) OPRM1TACR3
SCHEMBL29046387 0.70 RIPK1 (0.66) RIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115197098-B Cell necrosis inhibitor 北京生命科学研究所 2023-08-08 — — CN disclosed
CN-115197098-A Cell necrosis inhibitor 北京生命科学研究所 2022-10-18 — — CN disclosed
CN-107108467-B Cell necrosis inhibitor 北京生命科学研究所 2022-08-19 — — CN disclosed
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