SCHEMBL8546276

SCHEMBL8546276

O=C(CCc1ccccc1)N1CCCC(CCn2ccnc2)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CPB1 P15086 1/20 0.55
HPGD P15428 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
CHRNB2 P17787 4/20 0.50
CHRNA4 P43681 4/20 0.50
CHRNB4 P30926 3/20 0.50
CHRNA3 P32297 3/20 0.50
NPC1 O15118 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
ALDH1A1 P00352 2/20 0.48
GFER P55789 2/20 0.46
POLB P06746 1/20 0.45
GRIN2B Q13224 1/20 0.44
KDM6B O15054 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 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
SCHEMBL8701274 0.94 KDM4E (0.53) CPB1HPGDSMN1; SMN2KDM4EMAPK1
SCHEMBL8540140 0.90 HPGD (0.57) CPB1HPGDSMN1; SMN2KDM4EMAPK1
SCHEMBL8540312 0.87 GRIN2B (0.55) CPB1KDM4ECHRNB2CHRNA4CHRNB4
SCHEMBL8541319 0.82 HPGD (0.50) HPGDSMN1; SMN2NPC1TDP1ALDH1A1
SCHEMBL9037390 0.82 CPB1 (0.42) CPB1HPGDSMN1; SMN2KDM4EMAPK1
SCHEMBL8538696 0.81 FAAH (0.50) CPB1KDM4EMAPK1ALDH1A1POLB
SCHEMBL8541116 0.81 FAAH (0.57) CPB1SMN1; SMN2KDM4ENPC1TDP1
SCHEMBL9031024 0.80 PKM (0.53) CPB1SMN1; SMN2KDM4EMAPK1CHRNB2
SCHEMBL8545138 0.80 SMN1; SMN2 (0.67) CPB1HPGDSMN1; SMN2KDM4EMAPK1
SCHEMBL8546498 0.79 HPGD (0.65) CPB1HPGDSMN1; SMN2KDM4EMAPK1

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