SCHEMBL30440671

SCHEMBL30440671

c1ccc(COc2cccc(N3CCC3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 1/20 0.49
HRH3 Q9Y5N1 1/20 0.46
HTT P42858 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
KDM4E B2RXH2 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
CYP11B2 P19099 1/20 0.44
NPC1 O15118 1/20 0.44
MAPT P10636 1/20 0.44
RAB9A P51151 1/20 0.44
PDE10A Q9Y233 5/20 0.44
PIM1 P11309 1/20 0.43
PIM3 Q86V86 1/20 0.43
PIM2 Q9P1W9 1/20 0.43
HTR2A P28223 2/20 0.43
HTR2C P28335 2/20 0.43

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
SCHEMBL17869373 1.00 HRH4 (0.49) HRH4HRH3HTTALDH1A1SMN1; SMN2
SCHEMBL1263372 0.97 HRH4 (0.49) HRH4HRH3HTTALDH1A1SMN1; SMN2
SCHEMBL30440467 0.97 HRH4 (0.49) HRH4HRH3HTTALDH1A1SMN1; SMN2
SCHEMBL3104344 0.87 HTR2C (0.57) HRH4HTTALDH1A1KDM4EPIM1
SCHEMBL20280064 0.87 HRH4 (0.65) HRH4HRH3HTTALDH1A1SMN1; SMN2
SCHEMBL25230198 0.87 CYP11B2 (0.60) HRH4HTTALDH1A1SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL31061265 0.86 HTR2C (0.58) HRH4HTTALDH1A1KDM4EPIM1
SCHEMBL3108697 0.84 HRH4 (0.46) HRH4HTTALDH1A1SMN1; SMN2KDM4E
SCHEMBL25224739 0.82 ENPP2 (0.53) HRH4ALDH1A1KDM4ELMNAALOX12
SCHEMBL25235983 0.81 HRH4 (0.41) HRH4HTTALDH1A1SMN1; SMN2KDM4E

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-2023114539-A1 AMINO CHROMEN-2-ONE MODULATORS OF POLRMT PRETZEL THERAPEUTICS, INC. (US) 2023-06-22 WO disclosed