SCHEMBL4650698

SCHEMBL4650698

Cc1ccccc1-c1cccc2c1O[C]C2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
CASP3 P42574 2/20 0.35
SENP8 Q96LD8 2/20 0.35
SENP7 Q9BQF6 2/20 0.35
SENP6 Q9GZR1 2/20 0.35
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ALDH1A1 P00352 5/20 0.33
KMT2A Q03164 3/20 0.33
MEN1 O00255 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PRNP P04156 1/20 0.33
PPARG P37231 1/20 0.33
MAPK10 P53779 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL4597187 0.86 MYC (0.39) HTR7MYC
SCHEMBL4596881 0.82 NOTUM (0.36) NPC1RAB9ACASP3SENP8SENP7
SCHEMBL4648888 0.73 MAOB (0.38) SMN1; SMN2NPC1RAB9AALDH1A1KDM4E
SCHEMBL20713018 0.70 PARP1 (0.45) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL9378692 0.68 CA12 (0.38) HTR2AALDH1A1KDM4EHTR7MAPK1
SCHEMBL6047940 0.68 PARP1 (0.49) HTR2AHTR2CALDH1A1MAOAMAOB
SCHEMBL598761 0.67 TSHR (0.53) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL30169568 0.67 ACHE (0.64) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL197690 0.67 ACHE (0.64) SMN1; SMN2NPC1RAB9ACASP3SENP8
SCHEMBL30354037 0.67 ACHE (0.64) SMN1; SMN2NPC1RAB9ACASP3SENP8

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1874750-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth Incoporated (US) 2008-01-09 EP disclosed
WO-2007030150-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH (US) 2007-03-15 WO disclosed