SCHEMBL4595701

SCHEMBL4595701

Cc1ccccc1-c1cccc2c1CC(CNC(=O)O)O2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.44
HPGD P15428 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MTNR1B P49286 11/20 0.42
ALDH1A1 P00352 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
MAPK1 P28482 1/20 0.40
TSHR P16473 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL4229500 0.91 MTNR1A (0.42) MTNR1AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4226255 0.88 GPR52 (0.46) MTNR1AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4226025 0.85 GPR52 (0.41) MTNR1AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4225917 0.84 GPR52 (0.42) MTNR1AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4226726 0.80 ALDH1A1 (0.43) MTNR1AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4220081 0.78 ABCB1 (0.38) MTNR1ANPC1RAB9ASMN1; SMN2MTNR1B
SCHEMBL4232344 0.77 MTNR1A (0.41) MTNR1AMTNR1BMAPK1TSHR
SCHEMBL4595700 0.77 MYC (0.36) HPGDSMN1; SMN2ALDH1A1KMT2AMAPK1
SCHEMBL4222303 0.74 PRKAB2 (0.41) MTNR1AHPGDNPC1RAB9ASMN1; SMN2
SCHEMBL4232343 0.74 L3MBTL1 (0.39) MTNR1AHPGDNPC1RAB9ASMN1; SMN2

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 4 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
EP-1675840-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS Wyeth a Corporation of the State of Delaware (US) 2006-07-05 EP disclosed
WO-2005044812-A1 DIHYDROBENZOFURANYL ALKANAMINE DERIVATIVES AS 5HT2C AGONISTS WYETH A CORPORATION OF THE STATE OF DELAWARE (US) 2005-05-19 WO disclosed