SCHEMBL4964699

SCHEMBL4964699

CC(=O)NCC1Cc2cccc(-c3cc(Cl)ccc3Cl)c2O1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AQP1 P29972 3/20 0.43
S1PR4 O95977 6/20 0.41
CHRM1 P11229 2/20 0.41
CHRM3 P20309 1/20 0.41
MTNR1A P48039 3/20 0.39
S1PR2 O95136 2/20 0.38
S1PR3 Q99500 1/20 0.38
S1PR5 Q9H228 1/20 0.38
RORC P51449 3/20 0.38
MTNR1B P49286 2/20 0.37
EZH2 Q15910 1/20 0.37
PRKAB2 O43741 2/20 0.37
PRKAG1 P54619 2/20 0.37
PRKAA2 P54646 2/20 0.37
PRKAA1 Q13131 2/20 0.37
PRKAG3 Q9UGI9 2/20 0.37
PRKAG2 Q9UGJ0 2/20 0.37
PRKAB1 Q9Y478 2/20 0.37

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
SCHEMBL4964691 1.00 AQP1 (0.43) AQP1S1PR4CHRM1CHRM3MTNR1A
SCHEMBL4959672 0.91 AQP1 (0.53) AQP1S1PR4MTNR1AS1PR2S1PR3
SCHEMBL4230182 0.90 AQP1 (0.42) AQP1S1PR4CHRM1CHRM3S1PR2
SCHEMBL13992999 0.89 AQP1 (0.45) AQP1MTNR1ARORCMTNR1BPRKAB2
SCHEMBL4596919 0.85 AQP1 (0.58) AQP1S1PR4CHRM1CHRM3S1PR2
SCHEMBL13992998 0.84 AQP1 (0.53) AQP1MTNR1ARORCMTNR1BEZH2
SCHEMBL4962532 0.83 AQP1 (0.47) AQP1S1PR4MTNR1ARORCMTNR1B
SCHEMBL4226305 0.83 CHRM1 (0.44) AQP1S1PR4CHRM1S1PR2S1PR3
Hydrochloric Acid SCHEMBL6000525 0.83 PRKAB2 (0.44) AQP1MTNR1AMTNR1BPRKAB2PRKAG1
SCHEMBL4225278 0.81 AQP1 (0.52) AQP1S1PR4CHRM1S1PR2S1PR3

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
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