SCHEMBL5244705

SCHEMBL5244705

O=C1C(Cc2ccccc2)CCN1C1CCCCC1O

nearest known ligand 0.70

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.70
SLC18A3 Q16572 7/20 0.56
CYP2D6 P10635 2/20 0.42
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 2/20 0.41
APEX1 P27695 1/20 0.41
BLM P54132 1/20 0.41
ROCK2 O75116 1/20 0.41

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
SCHEMBL2986964 0.82 HSD11B1 (1.00) HSD11B1SMN1; SMN2CYP2C9ALDH1A1ROCK2
SCHEMBL2991618 0.76 HSD11B1 (0.60) HSD11B1ALDH1A1ROCK2
SCHEMBL2999388 0.76 HSD11B1 (0.60) HSD11B1ALDH1A1ROCK2
SCHEMBL2999386 0.76 HSD11B1 (0.60) HSD11B1ALDH1A1ROCK2
SCHEMBL3542808 0.75 HSD11B1 (0.84) HSD11B1SMN1; SMN2ALDH1A1ROCK2
SCHEMBL3428076 0.75 HSD11B1 (0.55) HSD11B1SLC18A3ALDH1A1ROCK2
SCHEMBL16390739 0.74 HSD11B1 (0.74) HSD11B1SIGMAR1ROCK2
SCHEMBL2994695 0.74 SIGMAR1 (0.42) HSD11B1SLC18A3TSHRSIGMAR1
SCHEMBL3882352 0.74 SIGMAR1 (0.42) HSD11B1SLC18A3TSHRSIGMAR1
SCHEMBL3882355 0.74 SIGMAR1 (0.42) HSD11B1SLC18A3TSHRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1828099-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS Cardimone Pharma Corporation (CA) 2007-09-05 EP disclosed
WO-2006088525-A1 SYNTHETIC PROCESS FOR AMINOCYCLOHEXYL ETHER COMPOUNDS CARDIOME PHARMA CORP. (CA) 2006-08-24 WO disclosed