SCHEMBL8701274

SCHEMBL8701274

O=C(CCc1ccccc1)N1CCCC(CCCn2ccnc2)C1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.53
MAPK1 P28482 1/20 0.53
HPGD P15428 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
CPB1 P15086 1/20 0.50
CHRNB2 P17787 4/20 0.48
CHRNA4 P43681 4/20 0.48
CHRNB4 P30926 3/20 0.48
CHRNA3 P32297 3/20 0.48
NPC1 O15118 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
ALDH1A1 P00352 2/20 0.47
TPSAB1 Q15661 1/20 0.46
TPSD1 Q9BZJ3 1/20 0.46
TPSG1 Q9NRR2 1/20 0.46
FAAH O00519 1/20 0.45
TBXAS1 P24557 3/20 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
SCHEMBL8546276 0.94 CPB1 (0.55) KDM4EMAPK1HPGDSMN1; SMN2CPB1
SCHEMBL8541116 0.88 FAAH (0.57) KDM4ESMN1; SMN2CPB1NPC1TDP1
SCHEMBL8540140 0.88 HPGD (0.57) KDM4EMAPK1HPGDSMN1; SMN2CPB1
SCHEMBL8540312 0.81 GRIN2B (0.55) KDM4ECPB1CHRNB2CHRNA4CHRNB4
SCHEMBL8699420 0.81 SLC6A2 (0.48) CHRNB2CHRNA4CHRNB4CHRNA3TBXAS1
SCHEMBL8701279 0.79 NPC1 (0.53) KDM4EHPGDSMN1; SMN2NPC1TDP1
SCHEMBL9037390 0.79 CPB1 (0.42) KDM4EMAPK1HPGDSMN1; SMN2CPB1
SCHEMBL8545138 0.79 SMN1; SMN2 (0.67) KDM4EMAPK1HPGDSMN1; SMN2CPB1
SCHEMBL8541319 0.78 HPGD (0.50) HPGDSMN1; SMN2NPC1TDP1ALDH1A1
SCHEMBL8538696 0.78 FAAH (0.50) KDM4EMAPK1CPB1ALDH1A1FAAH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5741800-A ANTIINFLAMMATORY AGENT, ANTIALLERGENS KNOLL AKTIENGESELLACHAFT (DE) 1998-04-21 US disclosed