SCHEMBL8540280

SCHEMBL8540280

O=C(C1CCc2ccccc2C1)N1CCC(CCn2ccnc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 6/20 0.46
CYP19A1 P11511 2/20 0.46
ENPP2 Q13822 1/20 0.42
P2RX7 Q99572 1/20 0.40
GHSR Q92847 1/20 0.40
NAMPT P43490 1/20 0.39
F2 P00734 1/20 0.39
PREP P48147 4/20 0.39
RAB9A P51151 1/20 0.38
FAAH O00519 1/20 0.38

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
SCHEMBL8699080 0.82 TBXAS1 (0.47) TBXAS1CYP19A1ENPP2F2PREP
SCHEMBL8545098 0.78 SIGMAR1 (0.55) TBXAS1CYP19A1
SCHEMBL8540527 0.77 HDAC3 (0.52) TBXAS1CYP19A1NAMPTFAAH
SCHEMBL22051980 0.75 KEAP1 (0.53) P2RX7F2PREPFAAH
SCHEMBL8545335 0.75 HDAC3 (0.54) TBXAS1CYP19A1FAAH
SCHEMBL8540312 0.73 GRIN2B (0.55) TBXAS1FAAH
SCHEMBL8538696 0.72 FAAH (0.50) TBXAS1FAAH
SCHEMBL8545247 0.71 USP7 (0.52) TBXAS1CYP19A1RAB9A
SCHEMBL6492368 0.70 GRIN2B (0.56) NAMPT
SCHEMBL8541762 0.70 TBXAS1 (0.58) TBXAS1

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
EP-0705258-B1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1998-12-30 EP disclosed
EP-0705258-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY Knoll AG (DE) 1996-04-10 EP disclosed
WO-1995000507-A1 AZOLYL-CYCLIC AMINE DERIVATIVES WITH IMMUNOMODULATORY ACTIVITY KNOLL AG (DE) 1995-01-05 WO disclosed