SCHEMBL6618399

SCHEMBL6618399

Cc1ccc2cccc(OCC3CCCN(CCC(=O)Cc4ccc(F)cc4)C3)c2n1

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
KDM4E B2RXH2 5/20 0.43
LMNA P02545 2/20 0.43
MCHR1 Q99705 3/20 0.40
POLB P06746 2/20 0.40
MAPT P10636 2/20 0.40
CCR3 P51677 3/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
SSTR5 P35346 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL6647024 0.90 SSTR5 (0.47) MEN1KMT2AKDM4ELMNAPOLB
SCHEMBL6617305 0.85 CHRNB4 (0.47) POLBALDH1A1
SCHEMBL4049636 0.85 MEN1 (0.46) MEN1KMT2AKDM4ELMNAPOLB
SCHEMBL6619348 0.81 CHRNB4 (0.47) POLBMAPTCCR3ALDH1A1
SCHEMBL6617259 0.81 CHRNB4 (0.42) POLBCCR3ALDH1A1
SCHEMBL6614953 0.77 KDM4E (0.40) KDM4EPOLBCCR3ALDH1A1MAOA
SCHEMBL6618307 0.77 CACNA1B (0.44) CCR3MAOB
SCHEMBL6648474 0.76 PTGS1 (0.46) CCR3KCNH2
SCHEMBL6659265 0.76 POLB (0.44) KDM4ELMNAPOLB
SCHEMBL6614327 0.75 CYP3A4 (0.48) MEN1KMT2ACCR3ALDH1A1SMN1; SMN2

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-1421070-A1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY AstraZeneca AB (SE) 2004-05-26 EP disclosed
WO-2003018566-A1 NEW PIPERIDINYL DERIVATES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA AB (SE) 2003-03-06 WO disclosed