SCHEMBL4962532

SCHEMBL4962532

CC(=O)NCC1Cc2cc(Cl)cc(-c3ccccc3Cl)c2O1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.47
EZH2 Q15910 1/20 0.46
MTNR1A P48039 4/20 0.42
USP7 Q93009 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 2/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
HPGD P15428 1/20 0.37
RORC P51449 4/20 0.37
MTNR1B P49286 3/20 0.36
KDM4E B2RXH2 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
S1PR4 O95977 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
SCHEMBL4959742 0.90 AQP1 (0.44) AQP1EZH2MTNR1ACYP3A4CYP2C19
SCHEMBL4961651 0.89 AQP1 (0.59) AQP1EZH2MTNR1ACYP3A4CYP2C19
SCHEMBL4960925 0.88 AQP1 (0.43) AQP1EZH2MTNR1ACYP3A4CYP2C19
SCHEMBL13992999 0.87 AQP1 (0.45) AQP1MTNR1ACYP3A4CYP2C19RECQL
SCHEMBL4960669 0.86 AQP1 (0.47) AQP1EZH2MTNR1ACYP3A4CYP2C19
SCHEMBL4964699 0.83 AQP1 (0.43) AQP1EZH2MTNR1ARORCMTNR1B
SCHEMBL4964691 0.83 AQP1 (0.43) AQP1EZH2MTNR1ARORCMTNR1B
SCHEMBL4236357 0.83 EZH2 (0.44) AQP1EZH2USP7RAB9ANPC1
SCHEMBL13992998 0.83 AQP1 (0.53) AQP1EZH2MTNR1ACYP3A4CYP2C19
Hydrochloric Acid SCHEMBL6000525 0.82 PRKAB2 (0.44) AQP1MTNR1ACYP3A4CYP2C19RECQL

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