SCHEMBL5709378

SCHEMBL5709378

O=C(O)CC1(c2ccc(Cl)cc2)CCc2cc(F)ccc21

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 6/20 0.41
ALDH1A1 P00352 2/20 0.40
TBXA2R P21731 3/20 0.39
PSEN1 P49768 4/20 0.39
PSEN2 P49810 4/20 0.39
APH1B Q8WW43 4/20 0.39
NCSTN Q92542 4/20 0.39
APH1A Q96BI3 4/20 0.39
PSENEN Q9NZ42 4/20 0.39
AKR1B1 P15121 2/20 0.38
P2RX7 Q99572 1/20 0.38
DRD2 P14416 1/20 0.36

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
SCHEMBL27680729 0.90 HSD11B1 (0.42) HSD11B1ALDH1A1AKR1B1
SCHEMBL27660700 0.90 HSD11B1 (0.42) HSD11B1ALDH1A1AKR1B1
SCHEMBL5709364 0.90 HSD11B1 (0.42) HSD11B1ALDH1A1AKR1B1
SCHEMBL27680727 0.85 HSD11B1 (0.39) HSD11B1ALDH1A1AKR1B1P2RX7
SCHEMBL5709459 0.85 HSD11B1 (0.39) HSD11B1ALDH1A1AKR1B1P2RX7
SCHEMBL5709379 0.85 HSD11B1 (0.39) HSD11B1ALDH1A1AKR1B1P2RX7
SCHEMBL27680726 0.83 HSD11B1 (0.43) HSD11B1ALDH1A1AKR1B1
SCHEMBL5709361 0.83 HSD11B1 (0.43) HSD11B1ALDH1A1AKR1B1
SCHEMBL27680705 0.83 HSD11B1 (0.43) HSD11B1ALDH1A1AKR1B1
SCHEMBL5709422 0.82 SLC6A9 (0.42) PSEN1PSEN2APH1BNCSTNAPH1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1950328-A Phenyl indan derivatives LUNDBECK & CO AS H (DK) 2007-04-18 CN disclosed
EP-1727785-A1 PHENYL INDAN DERIVATIVES H.Lundbeck A/S (DK) 2006-12-06 EP disclosed
WO-2005087708-A1 PHENYL INDAN DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 WO disclosed