SCHEMBL4960032

SCHEMBL4960032

CC(=O)NCC1Cc2cccc(-c3ccccc3C(F)(F)F)c2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.42
CYP3A4 P08684 4/20 0.41
TSHR P16473 4/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
KDM4E B2RXH2 1/20 0.41
GPR52 Q9Y2T5 1/20 0.41
CYP1A2 P05177 4/20 0.39
ALDH1A1 P00352 2/20 0.39
CLK4 Q9HAZ1 2/20 0.39
MTNR1B P49286 6/20 0.39
ATM Q13315 1/20 0.39
CYP2D6 P10635 2/20 0.38
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
USP2 O75604 1/20 0.38
CYP2C19 P33261 1/20 0.38
PRKAB2 O43741 1/20 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
SCHEMBL4226848 0.90 GPR52 (0.42) TDP1KDM4EGPR52ALDH1A1ATM
SCHEMBL13992999 0.83 AQP1 (0.45) MTNR1ACYP3A4TSHRALDH1A1MTNR1B
SCHEMBL4596110 0.79 GPR52 (0.39) TDP1KDM4EGPR52ALDH1A1ATM
SCHEMBL4225706 0.78 PRKAB2 (0.54) TDP1GPR52ATMPRKAB2PRKAG1
SCHEMBL5791592 0.78 PRKAB2 (0.54) TDP1GPR52ATMPRKAB2PRKAG1
SCHEMBL13992998 0.78 AQP1 (0.53) MTNR1ACYP3A4GPR52MTNR1BCYP2C19
SCHEMBL4231359 0.78 AQP1 (0.45) TDP1KDM4EGPR52ALDH1A1ATM
Hydrochloric Acid SCHEMBL6000525 0.78 PRKAB2 (0.44) MTNR1ACYP3A4TSHRALDH1A1MTNR1B
SCHEMBL4959672 0.77 AQP1 (0.53) MTNR1AKDM4ECYP1A2ALDH1A1MTNR1B
SCHEMBL4964699 0.77 AQP1 (0.43) MTNR1AMTNR1BPRKAB2PRKAG1PRKAA2

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