SCHEMBL18646271

SCHEMBL18646271

N[C@@H]1CCc2c(-c3c(F)c(F)c(F)c(F)c3F)ccc(F)c21

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD3 P35462 1/20 0.33
CYP11B1 P15538 3/20 0.33
CYP11B2 P19099 3/20 0.33
EPAS1 Q99814 1/20 0.33
FFAR1 O14842 3/20 0.30
CYP2C8 P10632 1/20 0.30
CYP2C9 P11712 1/20 0.30
IL1RN P18510 2/20 0.30
ERAP2 Q6P179 2/20 0.30
ERAP1 Q9NZ08 2/20 0.30
ANPEP P15144 1/20 0.30

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
SCHEMBL18646270 0.85 DRD2 (0.42) DRD2DRD3EPAS1FFAR1CYP2C8
SCHEMBL18646920 0.83 FFAR1 (0.41) DRD2DRD3CYP11B1CYP11B2EPAS1
SCHEMBL18646918 0.82 FFAR1 (0.46) DRD2DRD3EPAS1FFAR1
SCHEMBL18646919 0.82 FFAR1 (0.43) DRD2DRD3CYP11B1CYP11B2EPAS1
SCHEMBL18646744 0.82 FFAR1 (0.43) DRD2DRD3FFAR1CYP2C8CYP2C9
SCHEMBL193672 0.81 DRD2 (0.43) DRD2DRD3CYP11B1CYP11B2EPAS1
SCHEMBL193673 0.81 DRD2 (0.43) DRD2DRD3CYP11B1CYP11B2EPAS1
SCHEMBL18647453 0.81 FFAR1 (0.43) DRD2DRD3FFAR1CYP2C8CYP2C9
SCHEMBL18647113 0.81 FFAR1 (0.34) CYP11B1CYP11B2EPAS1FFAR1CYP2C8
SCHEMBL18615202 0.80 FFAR1 (0.34) CYP11B1CYP11B2EPAS1FFAR1CYP2C8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017042121-A1 [{[2,3-DIHYDRO-1H-INDEN-1-YL]AMINO}-2H,3H-FURO[3,2-B]PYRIDIN-3-YL]ACETIC ACIDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2017-03-16 WO disclosed