SCHEMBL22981745

SCHEMBL22981745

O=C(O)N1CCc2ccc(CO)c(F)c2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HTR5A P47898 2/20 0.34
ESR1 P03372 3/20 0.33
ESR2 Q92731 3/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
ABHD6 Q9BV23 1/20 0.33
ALDH1A1 P00352 2/20 0.33
KCNK3 O14649 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
MAPT P10636 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
NOTUM Q6P988 1/20 0.33
RAB9A P51151 3/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL22982373 0.87 PNMT (0.36) HTR5AESR1ESR2PTGDR2ABHD6
SCHEMBL22993223 0.81 ESR2 (0.53) ESR2ABHD6TMEM97SIGMAR1MAPT
SCHEMBL29405534 0.81 ESR2 (0.53) ESR2ABHD6TMEM97SIGMAR1MAPT
SCHEMBL16147790 0.79 TMEM97 (0.41) NPC1MEN1KMT2AHTR5APTGDR2
SCHEMBL22982032 0.74 ERCC1 (0.36) KMT2AESR1ESR2ABHD6ALDH1A1
SCHEMBL17462502 0.74 ESR2 (0.48) NPC1ESR2RAB9A
SCHEMBL13082467 0.73 RIPK1 (0.49) NPC1MEN1KMT2AHTR5APTGDR2
SCHEMBL23013352 0.72 L3MBTL1 (0.39) NPC1MEN1KMT2AL3MBTL1ESR1
SCHEMBL22981727 0.71 NPC1 (0.35) NPC1MEN1KMT2AL3MBTL1HTR5A
SCHEMBL18584701 0.71 ABHD6 (0.43) NPC1MEN1KMT2AABHD6ALDH1A1

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
EP-4010333-A1 PLASMA KALLIKREIN INHIBITORS Kalvista Pharmaceuticals Limited (GB) 2022-06-15 EP disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed