SCHEMBL30088942

SCHEMBL30088942

CCCCOC(=O)N1CCC[C@@H](Nc2ccc(C#N)cc2)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 2/20 0.48
▸ HRH2 P25021 1/20 0.48
▸ HRH3 Q9Y5N1 1/20 0.48
▸ GFER P55789 4/20 0.44
▸ TDP1 Q9NUW8 2/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ HTR1A P08908 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ HTR2A P28223 1/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ CCR2 P41597 1/20 0.42

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
SCHEMBL30089100 0.86 JAK3 (0.44) GFERTDP1RAB9A
SCHEMBL29136118 0.81 ALDH1A1 (0.53) GFERALDH1A1RAB9ANPC1
SCHEMBL23292267 0.80 CYP3A4 (0.55) HRH1HRH2HRH3
SCHEMBL7492247 0.80 ALDH1A1 (0.47) HRH1HRH2TDP1KDM4EALDH1A1
SCHEMBL30089101 0.80 KDM4E (0.46) GFERKDM4EALDH1A1
SCHEMBL18613893 0.79 KDM4E (0.49) KDM4EALDH1A1
SCHEMBL27177281 0.79 DPP4 (0.48) GFERCCR2
SCHEMBL29136093 0.79 DPP4 (0.48) GFERCCR2
SCHEMBL30089092 0.79 SMN1; SMN2 (0.46) GFERKDM4E
SCHEMBL2636995 0.79 HRH2 (0.41) HRH1HRH2HRH3

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-4341252-A1 OXOINDOLINE COMPOUND FOR THE TREATMENT OF INFLAMMATORY DISEASES OR CANCER F. Hoffmann-La Roche AG (CH) 2024-03-27 — — EP disclosed
WO-2022243346-A1 OXOINDOLINE COMPOUND FOR THE TREATMENT OF INFLAMMATORY DISEASES OR CANCER F. HOFFMANN-LA ROCHE AG (CH) 2022-11-24 — — WO disclosed
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