SCHEMBL27114925

SCHEMBL27114925

CCCc1ccc(CCCNCCCCCc2ccnc(N3CCOCC3)c2)cc1CC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CA P42336 3/20 0.40
▸ OGA O60502 1/20 0.36
▸ ABL1 P00519 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ CASP7 P55210 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ NAPEPLD Q6IQ20 1/20 0.35
▸ AOC3 Q16853 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ SLC40A1 Q9NP59 1/20 0.35
▸ HCRTR1 O43613 1/20 0.35
▸ HCRTR2 O43614 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ OPRL1 P41146 1/20 0.35
▸ KLKB1 P03952 1/20 0.34
▸ KLK1 P06870 1/20 0.34

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
SCHEMBL21376960 0.79 PIK3CA (0.50) PIK3CAOGAABL1HCRTR1HCRTR2
SCHEMBL13069962 0.77 PIK3CA (0.53) PIK3CAOGAABL1ALDH1A1HCRTR1
SCHEMBL8197483 0.72 PIK3CA (0.59) PIK3CAOGAHCRTR1HCRTR2OPRM1
SCHEMBL7679073 0.68 CYP3A4 (0.45) PIK3CAOGAKDM4ENAPEPLDSLC40A1
SCHEMBL7677919 0.67 CYP2C19 (0.67) PIK3CAALDH1A1SLC40A1
SCHEMBL13725415 0.67 LRRK2 (0.50) PIK3CAOGAABL1OPRM1OPRL1
SCHEMBL13028832 0.67 PIK3CA (0.50) PIK3CAOGAABL1HCRTR1HCRTR2
SCHEMBL10154083 0.67 PIK3CA (0.50) PIK3CAOGAKDM4EALDH1A1MAPT
SCHEMBL14615359 0.67 HRH3 (0.50) KDM4EALDH1A1MAPTHPGDHSD17B10
SCHEMBL15621623 0.66 HRH4 (0.49) PIK3CAMAPTCASP1AOC3HCRTR1

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-4076650-B1 3-(5-METHOXY-1-OXOISOINDOLIN-2-YL)PIPERIDINE-2,6-DIONE DERIVATIVES AND USES THEREOF NOVARTIS AG (CH) 2024-02-28 — — EP disclosed
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