SCHEMBL22982202

SCHEMBL22982202

O=Cc1cc(F)cc2c1CCN(C(=O)O)C2

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 1/20 0.37
ERN1 O75460 1/20 0.37
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 4/20 0.34
RAB9A P51151 3/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
HTR5A P47898 2/20 0.33
MAPT P10636 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
ESR1 P03372 2/20 0.31
ESR2 Q92731 2/20 0.31
CDK4 P11802 2/20 0.31
CCND1 P24385 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31

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
SCHEMBL22981614 0.81 RIPK1 (0.40) BTKALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL29391445 0.80 ESR2 (0.51) MAPTESR2
SCHEMBL22993240 0.80 ESR2 (0.51) MAPTESR2
SCHEMBL22981183 0.78 KCNJ1 (0.37) ALDH1A1HPGDSMN1; SMN2NPC1RAB9A
SCHEMBL22981727 0.78 NPC1 (0.35) BTKALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL5774668 0.78 MEN1 (0.43) BTKALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL31198110 0.78 MEN1 (0.43) BTKALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL21326045 0.77 THRB (0.44) ALDH1A1NPC1RAB9AMEN1KMT2A
SCHEMBL22981751 0.77 BTK (0.34) BTKALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL19949181 0.74 DPP4 (0.43) BTKALDH1A1HPGDSMN1; SMN2NPC1

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-2021028645-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed
WO-2021028649-A1 PLASMA KALLIKREIN INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2021-02-18 WO disclosed