SCHEMBL4960669

SCHEMBL4960669

CC(=O)NCC1Cc2ccc(F)c(-c3ccccc3Cl)c2O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 2/20 0.47
MTNR1A P48039 3/20 0.41
EZH2 Q15910 1/20 0.40
LMNA P02545 2/20 0.38
SLC6A2 P23975 4/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
RORC P51449 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
HPGD P15428 1/20 0.36
GAA P10253 1/20 0.36
MTNR1B P49286 2/20 0.36
MAOA P21397 1/20 0.35
PTGS1 P23219 1/20 0.35
MAOB P27338 1/20 0.35
CALML3 P27482 1/20 0.35

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
SCHEMBL4960108 0.90 MTNR1A (0.42) AQP1MTNR1ALMNARORCALDH1A1
SCHEMBL4226746 0.86 AQP1 (0.61) AQP1EZH2LMNASLC6A2NPC1
SCHEMBL4962532 0.86 AQP1 (0.47) AQP1MTNR1AEZH2CYP3A4CYP2C19
SCHEMBL13993001 0.85 MTNR1A (0.43) AQP1MTNR1ALMNACYP2C19RORC
SCHEMBL13992999 0.84 AQP1 (0.45) AQP1MTNR1ACYP3A4CYP2C19RECQL
SCHEMBL4961651 0.84 AQP1 (0.59) AQP1MTNR1AEZH2LMNASLC6A2
SCHEMBL4231302 0.83 AQP1 (0.42) AQP1EZH2ALDH1A1GAAMAOB
SCHEMBL4230959 0.82 AQP1 (0.39) AQP1MTNR1AEZH2LMNANPC1
SCHEMBL13992998 0.82 AQP1 (0.53) AQP1MTNR1AEZH2CYP3A4CYP2C19
SCHEMBL4959742 0.80 AQP1 (0.44) AQP1MTNR1AEZH2LMNASLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7470799-B2 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2008-12-30 US disclosed
US-7470799-B2 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2008-12-30 US disclosed
US-7470799-B2 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2008-12-30 US disclosed
EP-1871754-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF Wyeth a Corporation of the State of Delaware (US) 2008-01-02 EP disclosed
WO-2006116136-A1 DIHYDROBENZOFURAN DERIVATIVES AND USES THEREOF WYETH (US) 2006-11-02 WO disclosed
US-20060246551-A1 Dihydrobenzofuran derivatives and uses thereof WYETH (US) 2006-11-02 US disclosed