SCHEMBL17805391

SCHEMBL17805391

O=CNc1cccc(N2CCCC2)c1F

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 6/20 0.44
GAA P10253 3/20 0.44
TSHR P16473 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
MAPK1 P28482 2/20 0.43
ALDH1A1 P00352 4/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
HTT P42858 2/20 0.43
USP2 O75604 1/20 0.43
GLA P06280 1/20 0.43
ATM Q13315 1/20 0.43
PKM P14618 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
KCNQ2 O43526 7/20 0.41
KMT2A Q03164 1/20 0.41
MAPT P10636 1/20 0.39
CSF1R P07333 1/20 0.39
GFER P55789 1/20 0.39

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
SCHEMBL24383692 0.74 ALDH1A1 (0.49) NPSR1GAATSHRSMN1; SMN2MAPK1
SCHEMBL5716237 0.71 DRD2 (0.47) NPSR1GAATSHRSMN1; SMN2MAPK1
SCHEMBL2090488 0.71 TSHR (0.40) NPSR1TSHRSMN1; SMN2ALDH1A1KMT2A
SCHEMBL5716359 0.70 NPSR1 (0.49) NPSR1GAATSHRSMN1; SMN2MAPK1
SCHEMBL4468998 0.69 ADRB1 (0.51) TSHRALDH1A1MAPT
SCHEMBL5542946 0.69 LMNA (0.55) NPSR1GAATSHRSMN1; SMN2ALDH1A1
SCHEMBL5543471 0.69 MAPK1 (0.51) NPSR1GAATSHRMAPK1ALDH1A1
SCHEMBL12176173 0.68 GAA (0.47) NPSR1GAATSHRMAPK1ALDH1A1
SCHEMBL2937385 0.68 KEAP1 (0.42) NPSR1GAATSHRSMN1; SMN2MAPK1
SCHEMBL147644 0.68 TSHR (0.38) GAATSHRSMN1; SMN2ALDH1A1L3MBTL1

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-2381778-B1 C5AR ANTAGONISTS CHEMOCENTRYX INC (US) 2016-06-08 EP disclosed