SCHEMBL20140621

SCHEMBL20140621

Cc1coc(N2CCN(C(=O)O)CC2)n1

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ NCF1 P14598 1/20 0.36
▸ HPGD P15428 2/20 0.36
▸ USP2 O75604 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ ALDH1A1 P00352 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ GBA1 P04062 3/20 0.35
▸ KMT2A Q03164 5/20 0.34
▸ MEN1 O00255 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ HTT P42858 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ SLC6A7 Q99884 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL25416171 0.78 HCRTR1 (0.43) KDM4ELMNAKMT2AMEN1MAPT
SCHEMBL3765928 0.76 ITGB2 (0.44) HSD17B10ALDH1A1KMT2AMEN1NPC1
SCHEMBL13162797 0.73 GPR119 (0.46) HPGDUSP2KDM4ENPSR1HSD17B10
SCHEMBL13162793 0.71 KDM4E (0.35) HPGDUSP2KDM4ENPSR1HSD17B10
SCHEMBL16795197 0.71 PHGDH (0.44) NCF1HPGDUSP2KDM4ENPSR1
SCHEMBL18711785 0.71 ITGB2 (0.47) HPGDNPSR1HSD17B10ALDH1A1GBA1
SCHEMBL23243032 0.70 ALDH1A1 (0.40) HPGDKDM4EHSD17B10ALDH1A1KMT2A
Hydrochloric Acid SCHEMBL28658794 0.70 CHRM4 (0.47) LMNAKMT2AHTTGAASMN1; SMN2
SCHEMBL13270551 0.69 CHRM3 (0.33) —
SCHEMBL18702044 0.68 SPR (0.44) HPGDALDH1A1LMNAKMT2AMEN1

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
WO-2018089433-A1 PHENYL mTORC INHIBITORS AND USES THEREOF NAVITOR PHARMACEUTICALS, INC. (US) 2018-05-17 — — WO disclosed
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