SCHEMBL8545342

SCHEMBL8545342

CC(Cn1ccnc1)C1CCN(C(=O)CCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.51
GRIN2B Q13224 1/20 0.47
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
C3AR1 Q16581 6/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FAAH O00519 1/20 0.45
FKBP1A P62942 1/20 0.44
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL8541944 0.83 CD274 (0.51) ALDH1A1
SCHEMBL8541801 0.81 GRIN2B (0.57) POLBGRIN2BNPC1TDP1L3MBTL1
SCHEMBL8696687 0.81 NPC1 (0.45) GRIN2BNPC1TDP1HPGDSMN1; SMN2
SCHEMBL8540312 0.80 GRIN2B (0.55) POLBGRIN2BNPC1TDP1FAAH
SCHEMBL8539669 0.80 SIGMAR1 (0.47) GRIN2B
SCHEMBL2603249 0.78 POLB (0.68) POLBGRIN2BNPC1TDP1L3MBTL1
SCHEMBL8541116 0.78 FAAH (0.57) POLBGRIN2BNPC1TDP1SMN1; SMN2
SCHEMBL8541319 0.75 HPGD (0.50) POLBGRIN2BNPC1TDP1HPGD
SCHEMBL8540140 0.74 HPGD (0.57) POLBGRIN2BNPC1TDP1HPGD
SCHEMBL8538696 0.74 FAAH (0.50) POLBGRIN2BFAAHALDH1A1

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