SCHEMBL25993613

SCHEMBL25993613

C=CC(CCC=O)N1CCc2ccc(CC)cc2C1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ SLC6A2 P23975 1/20 0.32
▸ SLC6A4 P31645 1/20 0.32
▸ SLC6A3 Q01959 1/20 0.32
▸ SRD5A1 P18405 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ HRH3 Q9Y5N1 1/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ KCNH2 Q12809 1/20 0.30
▸ TMEM97 Q5BJF2 1/20 0.30

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
SCHEMBL24692266 0.83 NR1H2 (0.37) —
SCHEMBL27120641 0.82 SIGMAR1 (0.32) SLC6A4KCNH2SIGMAR1
SCHEMBL27120437 0.80 CHRM1 (0.36) SLC6A4HRH3KCNH2SIGMAR1
SCHEMBL25993189 0.75 KCNH2 (0.41) KCNH2TMEM97SIGMAR1
SCHEMBL26418968 0.74 HRH3 (0.49) TLR7CYP2D6SRD5A1KDM4EALDH1A1
SCHEMBL27119471 0.73 SIGMAR1 (0.33) SLC6A4KCNH2SIGMAR1
SCHEMBL25986948 0.71 NPC1 (0.31) TLR7CYP2D6MAPTNPC1RAB9A
SCHEMBL27121617 0.71 SIGMAR1 (0.36) SLC6A4HRH3KCNH2SIGMAR1
SCHEMBL21140748 0.69 HRH3 (0.45) TLR7SRD5A1KDM4EHRH3NPC1
SCHEMBL10066156 0.68 MAOA (0.52) TLR7SLC6A2SLC6A4SLC6A3HRH3

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
EP-3820573-B1 3-(5-HYDROXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND THEIR USE IN THE TREATMENT OF IKAROS FAMILY ZINC FINGER 2 (IKZF2)-DEPENDENT DISEASES NOVARTIS AG (CH) 2023-08-09 — — EP disclosed
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