SCHEMBL20511767

SCHEMBL20511767

O=C(OCc1cccc(C(F)(F)F)n1)n1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.40
P2RX7 Q99572 1/20 0.38
ADAMTS4 O75173 1/20 0.37
MMP13 P45452 1/20 0.37
CD38 P28907 3/20 0.35
IRAK4 Q9NWZ3 2/20 0.34
TBXAS1 P24557 1/20 0.34
HTR2C P28335 1/20 0.34
SLC6A4 P31645 1/20 0.34
HTR2B P41595 1/20 0.34
ADORA2A P29274 1/20 0.34
GLS O94925 1/20 0.34
CYP1A2 P05177 2/20 0.33
GPR52 Q9Y2T5 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
SCHEMBL19973954 0.81 DPP4 (0.43) TBXAS1CYP1A2
SCHEMBL4207114 0.80 MBOAT4 (0.38) CYP2C19
SCHEMBL19973982 0.79 CYP24A1 (0.35) CD38TBXAS1ADORA2A
SCHEMBL26597451 0.78 HDAC1 (0.34) TBXAS1
SCHEMBL20511745 0.78 CYP19A1 (0.38) TBXAS1CYP1A2CYP2C19
SCHEMBL26597482 0.77 SMN1; SMN2 (0.44) CD38
SCHEMBL20509607 0.76 PDE10A (0.47) CYP1A2
SCHEMBL19973543 0.76 SMN1; SMN2 (0.50) TBXAS1CYP1A2CYP2C19
SCHEMBL4218428 0.76 CD38 (0.43) P2RX7CD38CYP1A2CYP2C19
SCHEMBL4027132 0.75 HMOX1 (0.48) MAOBCYP1A2CYP2C19

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-3601216-B1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION ARBUTUS BIOPHARMA CORP (CA) 2023-10-25 EP disclosed
EP-3601216-B1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION ARBUTUS BIOPHARMA CORP (CA) 2023-10-25 EP disclosed
EP-3601216-A1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2020-02-05 EP disclosed
WO-2018172852-A1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2018-09-27 WO disclosed