SCHEMBL4673239

SCHEMBL4673239

Cc1ccc(CN2CCN(CCNC(=O)c3ccc(Cl)cc3OCC(=O)N(C)C)CC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 1/20 0.47
ACHE P22303 5/20 0.46
BCHE P06276 2/20 0.46
FAAH O00519 4/20 0.46
CCR3 P51677 1/20 0.44
MCHR1 Q99705 1/20 0.44
AKR1B1 P15121 1/20 0.43
LMNA P02545 1/20 0.42
USP2 O75604 1/20 0.42

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
SCHEMBL4673344 0.95 ACHE (0.51) DRD4ACHEBCHEFAAHCCR3
SCHEMBL4674864 0.92 DRD4 (0.45) DRD4ACHEBCHEFAAHCCR3
SCHEMBL4673589 0.92 DRD4 (0.46) DRD4ACHEBCHEFAAHCCR3
SCHEMBL4674202 0.92 ACHE (0.56) DRD4ACHEBCHEFAAHMCHR1
SCHEMBL4672981 0.91 CCR3 (0.56) DRD4ACHEBCHEFAAHCCR3
Hydrochloric Acid SCHEMBL4680340 0.90 CCR3 (0.55) DRD4ACHEBCHEFAAHCCR3
SCHEMBL4673654 0.90 ACHE (0.50) DRD4ACHEBCHEFAAHCCR3
SCHEMBL4675682 0.90 AKR1B1 (0.55) DRD4ACHEBCHEFAAHCCR3
SCHEMBL7486233 0.89 AKR1B1 (0.44) DRD4ACHEBCHEFAAHAKR1B1
SCHEMBL4673409 0.86 ALDH1A1 (0.45) ACHEBCHEFAAHAKR1B1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1196404-B1 PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2008-01-23 EP claimed
US-6562825-B1 For treating inflammatory disease including asthma and allergic diseases, as well as autoimmune pathologies ASTRAZENECA UK LIMITED (GB) 2003-05-13 US claimed
EP-1196404-B1 PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2008-01-23 EP disclosed
EP-1196404-B1 PIPERAZINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY ASTRAZENECA UK LTD (GB) 2008-01-23 EP disclosed
US-6562825-B1 For treating inflammatory disease including asthma and allergic diseases, as well as autoimmune pathologies ASTRAZENECA UK LIMITED (GB) 2003-05-13 US disclosed