SCHEMBL29912656

SCHEMBL29912656

CC1CCCC(C)N1C(=O)N(C)Cc1cc(F)cc(F)c1F

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 11/20 1.00
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ AGTR2 P50052 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ GLA P06280 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ DPP4 P27487 1/20 0.34
▸ FAP Q12884 1/20 0.34
▸ DPP8 Q6V1X1 1/20 0.34
▸ DPP9 Q86TI2 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.34
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
SCHEMBL17882231 1.00 RIPK1 (1.00) RIPK1CYP3A4CYP2C9CYP2C19RAB9A
SCHEMBL17882216 0.84 RIPK1 (0.73) RIPK1RAB9AALDH1A1HPGDKMT2A
SCHEMBL29912765 0.84 RIPK1 (0.73) RIPK1RAB9AALDH1A1HPGDKMT2A
SCHEMBL17882287 0.79 RIPK1 (1.00) RIPK1ALDH1A1HPGDDPP4DPP8
SCHEMBL29912730 0.79 RIPK1 (0.65) RIPK1RAB9AALDH1A1HPGDMEN1
SCHEMBL17882223 0.79 RIPK1 (0.65) RIPK1RAB9AALDH1A1HPGDMEN1
SCHEMBL17874104 0.75 RIPK1 (0.60) RIPK1RAB9AALDH1A1MEN1KMT2A
SCHEMBL29912621 0.75 RIPK1 (0.60) RIPK1RAB9AALDH1A1MEN1KMT2A
SCHEMBL29046387 0.74 RIPK1 (0.66) RIPK1DPP4DPP9MEN1KMT2A
SCHEMBL29912817 0.73 RIPK1 (0.61) RIPK1DPP4FAPDPP8DPP9

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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